A000598 -id:A000598 - cp's OEIS frontend

A000602 Number of n-node unrooted quartic trees; number of n-carbon alkanes C(n)H(2n+2) ignoring stereoisomers.

1, 1, 1, 1, 2, 3, 5, 9, 18, 35, 75, 159, 355, 802, 1858, 4347, 10359, 24894, 60523, 148284, 366319, 910726, 2278658, 5731580, 14490245, 36797588, 93839412, 240215803, 617105614, 1590507121, 4111846763, 10660307791, 27711253769

Offset: 0

N. J. A. Sloane

Trees are unrooted, nodes are unlabeled. Every node has degree <= 4.
Ignoring stereoisomers means that the children of a node are unordered. They can be permuted in any way and it is still the same tree. See A000628 for the analogous sequence with stereoisomers counted.
In alkanes every carbon has valence exactly 4 and every hydrogen has valence exactly 1. But the trees considered here are just the carbon "skeletons" (with all the hydrogen atoms stripped off) so now each carbon bonds to 1 to 4 other carbons. The degree of each node is then <= 4.

			a(6)=5 because hexane has five isomers: n-hexane; 2-methylpentane; 3-methylpentane; 2,2-dimethylbutane; 2,3-dimethylbutane. - Michael Lugo (mtlugo(AT)mit.edu), Mar 15 2003 (corrected by _Andrey V. Kulsha_, Sep 22 2011)

Klemens Adam, Die Anzahlbestimmung der isomeren Alkane, MNU 1983, 36, 29 (in German).
F. Bergeron, G. Labelle and P. Leroux, Combinatorial Species and Tree-Like Structures, Camb. 1998, p. 290.
L. Bytautats, D. J. Klein, Alkane Isomer Combinatorics: Stereostructure enumeration and graph-invariant and molecular-property distributions, J. Chem. Inf. Comput. Sci 39 (1999) 803, Table 1.
A. Cayley, Über die analytischen Figuren, welche in der Mathematik Baeume genannt werden..., Chem. Ber. 8 (1875), 1056-1059.
R. Davies and P. J. Freyd, C_{167}H_{336} is The Smallest Alkane with More Realizable Isomers than the Observable Universe has Particles, Journal of Chemical Education, Vol. 66, 1989, pp. 278-281.
J. L. Faulon, D. Visco and D. Roe, Enumerating Molecules, In: Reviews in Computational Chemistry Vol. 21, Ed. K. Lipkowitz, Wiley-VCH, 2005.
Steven R. Finch, Mathematical Constants, Cambridge University Press, 2003, Section 5.6.1 Chemical Isomers, p. 299.
J. L. Gross and J. Yellen, eds., Handbook of Graph Theory, CRC Press, 2004; p. 529.
Handbook of Combinatorics, North-Holland '95, p. 1963.
J. B. Hendrickson and C. A. Parks, "Generation and Enumeration of Carbon skeletons", J. Chem. Inf. Comput. Sci, vol. 31 (1991) pp. 101-107. See Table 2, column 2 on page 103.
M. D. Jackson and T. I. Bieber, Applications of degree distribution, 2: construction and enumeration of isomers in the alkane series, J. Chem. Info. and Computer Science, 33 (1993), 701-708.
J. Lederberg et al., Applications of artificial intelligence for chemical systems, I: The number of possible organic compounds. Acyclic structures containing C, H, O and N, J. Amer. Chem. Soc., 91 (1969), 2973-2097.
L. M. Masinter, Applications of artificial intelligence for chemical systems, XX, Exhaustive generation of cyclic and acyclic isomers, J. Amer. Chem. Soc., 96 (1974), 7702-7714.
D. Perry, The number of structural isomers ..., J. Amer. Chem. Soc. 54 (1932), 2918-2920. [Gives a(60) correctly - compare first link below]
M. Petkovsek and T. Pisanski, Counting disconnected structures: chemical trees, fullerenes, I-graphs and others, Croatica Chem. Acta, 78 (2005), 563-567.
D. H. Rouvray, An introduction to the chemical applications of graph theory, Congress. Numerant., 55 (1986), 267-280. - N. J. A. Sloane, Apr 08 2012
N. J. A. Sloane, A Handbook of Integer Sequences, Academic Press, 1973 (includes this sequence).
N. J. A. Sloane and Simon Plouffe, The Encyclopedia of Integer Sequences, Academic Press, 1995 (includes this sequence).
Marten J. ten Hoor, Formula for Success?, Education in Chemistry, 2005, 42(1), 10.
S. Wagner, Graph-theoretical enumeration and digital expansions: an analytic approach, Dissertation, Fakult. f. Tech. Math. u. Tech. Physik, Tech. Univ. Graz, Austria, Feb., 2006.

Pontus von Brömssen, Table of n, a(n) for n = 0..1000 (terms n = 0..60 from N. J. A. Sloane)
Jean-François Alcover, Mathematica program translated from N. J. A. Sloane's Maple program for A000022, A000200, A000598, A000602, A000678
M. van Almsick, H. Dolhaine and H. Honig, Efficient algorithms to enumerate isomers and diamutamers with more than one type of substituent, J. Chem. Info. and Computer Science, 40 (2000), 956-966.
Vijayakumar Ambat, Article about OEIS in Malayalam that mentions this sequence, Mathrubhumi (daily newspaper in Kerala State), circa Nov 20 2022.
R. Aringhieri, P. Hansen and F. Malucelli, Chemical Tree Enumeration Algorithms, Report TR-99-09, Dept. Informatica, Univ. Pisa, 1999.
A. T. Balaban, J. W. Kennedy and L. V. Quintas, The number of alkanes having n carbons and a longest chain of length d, J. Chem. Education, 65 (1988), 304-313.
H. Bottomley, Illustration of initial terms of A000022, A000200, A000602
L. Bytautas and D. J. Klein, Chemical combinatorics for alkane-isomer enumeration and more, J. Chem. Inf. Comput. Sci., 38 (1998), 1063-1078.
A. Cayley, Über die analytischen Figuren, welche in der Mathematik Bäume genannt werden und ihre Anwendung auf die Theorie chemischer Verbindungen, Chem. Ber. 8 (1875), 1056-1059. (Annotated scanned copy)
P. Flajolet and R. Sedgewick, Analytic Combinatorics, 2009; see page 478
Alfred W. Francis, Numbers of Isomeric Alkylbenzenes, J. Am. Chem. Soc., 69:6 (1947), pp. 1536-1537.
R. K. Guy, Letter to N. J. A. Sloane, Mar. 1988
F. Harary and R. Z. Norman, Dissimilarity characteristic theorems for graphs, Proc. Amer. Math. Soc. 11 (1960), 332-334.
H. R. Henze and C. M. Blair, The number of isomeric hydrocarbons of the methane series, J. Amer. Chem. Soc., 53 (8) (1931), 3077-3085.
H. R. Henze and C. M. Blair, The number of isomeric hydrocarbons of the methane series, J. Amer. Chem. Soc., 53 (1931), 3077-3085. (Annotated scanned copy)
H. R. Henze and C. M. Blair, The number of structurally isomeric Hydrocarbons of the Ethylene Series, J. Amer. Chem. Soc., 55 (2) (1933), 680-686.
F. Hermann, Ueber das Problem, die Anzahl der isomeren Paraffine der Formel C_n H_{2n+2} zu bestimmung, Chem. Ber., 13 (1880), 792. [I (1880), Annotated scanned copy]
F. Hermann, Ueber das Problem, die Anzahl der isomeren Paraffine der Formel C_n H_{2n+2} zu bestimmung, Chem. Ber., 30 (1897), 2423-2426. [II (1897), Annotated scanned copy]
F. Hermann, Entgegnung, Chem. Ber., 31 (1898), 91. [III (1898), Annotated scanned copy]
Lorentz Jäntschi and Lavinia-Lorena Pruteanu, Geometry of C_32 cyclic polyyne and some of its clusters, Carpathian J. Math. (2025) Vol. 41, No. 2, 371-391. See p. 371.
Michael A. Kappler, GENSMI: Exhaustive Enumeration of Simple Graphs. Daylight CIS, Inc., EuroMUG '04;4-Nov 05 2004.
E. V. Konstantinova and M. V. Vidyuk, Discriminating tests of information and topological indices; animals and trees; J. Chem. Inf. Comput. Sci., 43 (2003), 1860-1871.
J. Lederberg, Letter to N. J. A. Sloane, Aug 13 1971
J. Lederberg, The topology of molecules, in The Mathematical Sciences. Cambridge, Mass.: MIT Press, 1969, pages 37-51. [Annotated scanned copy]
J. Lederberg, Dendral-64, I, Report to NASA, Dec 1964 [Annotated scanned copy]
J. Lederberg, Dendral-64, II, Report to NASA, Dec 1965 [Annotated scanned copy]
J. Lederberg, Dendral-64, III, Report to NASA, Dec 1968 [Annotated scanned copy]
P. Leroux and B. Miloudi, Généralisations de la formule d'Otter, Ann. Sci. Math. Québec, Vol. 16, No. 1 (1992), pp. 53-80.
P. Leroux and B. Miloudi, Généralisations de la formule d'Otter, Ann. Sci. Math. Québec, Vol. 16, No. 1, pp. 53-80, 1992. (Annotated scanned copy)
S. M. Losanitsch, Die Isomerie-Arten bei den Homologen der Paraffin-Reihe, Chem. Ber. 30 (1897), 1917-1926.
S. M. Losanitsch, Die Isomerie-Arten bei den Homologen der Paraffin-Reihe, Chem. Ber. 30 (1897), 1917-1926. (Annotated scanned copy)
S. M. Losanitsch, Bemerkungen zu der Hermasnnschen Mitteillung: Die Anzahl..., Chem. Ber., 30 (1897), 3059-3060 [Annotated scanned copy]
A. Masoumi, M. Antoniazzi, and M. Soutchanski, Modeling organic chemistry and planning organic synthesis, GCAI 2015. Global Conference on Artificial Intelligence (2015), pp. 176-195.
W. R. Mueller et al., Molecular topological index, J. Chem. Inf. Comput. Sci., 30 (1990),160-163.
R. Otter, The number of trees, Ann. of Math. (2) 49 (1948), 583-599 discusses asymptotics.
D. Perry, The number of structural isomers of certain homologs of methane and methanol, J. Amer. Chem. Soc. 54 (1932), 2918-2920. [Gives a(60) correctly] (Annotated scanned copy)
G. Polya, Algebraische Berechnung der Anzahl der Isomeren einiger organischer Verbindungen, Zeit. f. Kristall., 93 (1936), 415-443
G. Polya, Algebraische Berechnung der Anzahl der Isomeren einiger organischer Verbindungen, Zeit. f. Kristall., 93 (1936), 415-443. (Annotated scanned copy)
E. M. Rains and N. J. A. Sloane, On Cayley's Enumeration of Alkanes (or 4-Valent Trees), J. Integer Sequences, Vol. 2 (1999), Article 99.1.1.
R. C. Read, The Enumeration of Acyclic Chemical Compounds, pp. 25-61 of A. T. Balaban, ed., Chemical Applications of Graph Theory, Ac. Press, 1976. [Annotated scanned copy] See p. 28.
R. W. Robinson, F. Harary and A. T. Balaban, Numbers of chiral and achiral alkanes and monosubstituted alkanes, Tetrahedron 32 (3) (1976), 355-361.
R. W. Robinson, F. Harary and A. T. Balaban, Numbers of chiral and achiral alkanes and monosubstituted alkanes, Tetrahedron 32 (3) (1976), 355-361. (Annotated scanned copy)
Hugo Schiff, Zur Statistik chemischer Verbindungen, Berichte der Deutschen Chemischen Gesellschaft, Vol. 8, pp. 1542-1547, 1875. [Annotated scanned copy]
Nicholas I. Shepherd-Barron, Asymptotic period relations for Jacobian elliptic surfaces, arXiv:1904.13344 [math.AG], 2019.
N. J. A. Sloane, Maple program and first 60 terms for A000022, A000200, A000598, A000602, A000678
N. J. A. Sloane, "A Handbook of Integer Sequences" Fifty Years Later, arXiv:2301.03149 [math.NT], 2023, p. 5.
N. Trinajstich, Z. Jerievi, J. V. Knop, W. R. Muller and K. Szymanski, Computer Generation of Isomeric Structures, Pure & Appl. Chem., Vol. 55, No. 2, pp. 379-390, 1983.
Stephan Wagner, On the average Wiener index of degree-restricted trees
Sylvia Wenmackers, Huiswerk (met bijna twintig jaar vertraging) (in Dutch), 2015.
Index entries for sequences related to trees
Index entries for "core" sequences

Column k=4 of A144528.
A000602 = A000022 + A000200 for n>0.
Cf. A000598, A000625, A000628, A067608, A067609, A067610.

A000602 := proc(n)
    if n=0 then
        1
    else
        A000022(n)+A000200(n);
    end if;
end proc:

n = 40; (* algorithm from Rains and Sloane *)
S3[f_,h_,x_] := f[h,x]^3/6 + f[h,x] f[h,x^2]/2 + f[h,x^3]/3;
S4[f_,h_,x_] := f[h,x]^4/24 + f[h,x]^2 f[h,x^2]/4 + f[h,x] f[h,x^3]/3 + f[h,x^2]^2/8 + f[h,x^4]/4;
T[-1,z_] := 1;  T[h_,z_] := T[h,z] = Table[z^k, {k,0,n}].Take[CoefficientList[z^(n+1) + 1 + S3[T,h-1,z]z, z], n+1];
Sum[Take[CoefficientList[z^(n+1) + S4[T,h-1,z]z - S4[T,h-2,z]z - (T[h-1,z] - T[h-2,z]) (T[h-1,z]-1),z], n+1], {h,1,n/2}] + PadRight[{1,1}, n+1] + Sum[Take[CoefficientList[z^(n+1) + (T[h,z] - T[h-1,z])^2/2 + (T[h,z^2] - T[h-1,z^2])/2, z],n+1], {h,0,n/2}] (* Robert A. Russell, Sep 15 2018 *)
b[n_, i_, t_, k_] := b[n,i,t,k] = If[i<1, 0, Sum[Binomial[b[i-1,i-1,
  k,k] + j-1, j]* b[n-i*j, i-1, t-j, k], {j, 0, Min[t, n/i]}]];
b[0, i_, t_, k_] = 1; m = 3; (* m = maximum children *) n = 40;
gf[x_] = 1 + Sum[b[j-1,j-1,m,m]x^j,{j,1,n}]; (* G.f. for A000598 *)
ci[x_] = SymmetricGroupIndex[m+1, x] /. x[i_] -> gf[x^i];
CoefficientList[Normal[Series[gf[x] - (gf[x]^2 - gf[x^2])/2 + x ci[x],
{x, 0, n}]],x] (* Robert A. Russell, Jan 19 2023 *)

a(n) = A010372(n) + A010373(n/2) for n even, a(n) = A010372(n) for n odd.
Also equals A000022 + A000200 (n>0), both of which have known generating functions. Also g.f. = A000678(x) - A000599(x) + A000598(x^2) = (x + x^2 + 2x^3 + ...) - (x^2 + x^3 + 3x^4 + ...) + (1 + x^2 + x^4 + ...) = 1 + x + x^2 + x^3 + 2x^4 + 3x^5 + ...
G.f.: B(x) - cycle_index(S2,-B(x)) + x * cycle_index(S4,B(x)) = B(x) - (B(x)^2 - B(x^2)) / 2 + x * (B(x)^4 + 6*B(x)^2*B(x^2) + 8*B(x)*B(x^3) + 3*B(x^2)^2 + 6*B(x^4)) / 24, where B(x) = 1 + x * cycle_index(S3,B(x)) = 1 + x * (B(x)^3 + 3*B(x)*B(x^2) + 2*B(x^3)) / 6 is the generating function for A000598. - Robert A. Russell, Jan 16 2023

Additional comments from Steve Strand (snstrand(AT)comcast.net), Aug 20 2003

A298422 Number of rooted trees with n nodes in which all positive outdegrees are the same.

Original entry on oeis.org

1, 1, 2, 2, 3, 2, 5, 2, 6, 4, 9, 2, 20, 2, 26, 12, 53, 2, 120, 2, 223, 43, 454, 2, 1100, 11, 2182, 215, 4902, 2, 11446, 2, 24744, 1242, 56014, 58, 131258, 2, 293550, 7643, 676928, 2, 1582686, 2, 3627780, 49155, 8436382, 2, 19809464, 50, 46027323, 321202

Offset: 1

Gus Wiseman, Jan 19 2018

nonn

Row sums of A298426.

			The a(9) = 6 trees: ((((((((o)))))))), (o(o(o(oo)))), (o((oo)(oo))), ((oo)(o(oo))), (ooo(oooo)), (oooooooo).

Alois P. Heinz, Table of n, a(n) for n = 1..200

Cf. A000005, A000081, A000598, A001190, A001678, A003238, A004111, A008864, A032305, A067538, A111299, A124343, A143773, A289078, A289079, A295461, A298118, A298204, A298423, A298424, A298426.

srut[n_]:=srut[n]=If[n===1,{{}},Select[Join@@Function[c,Union[Sort/@Tuples[srut/@c]]]/@Select[IntegerPartitions[n-1],Function[ptn,And@@(Divisible[#-1,Length[ptn]]&/@ptn)]],SameQ@@Length/@Cases[#,{},{0,Infinity}]&]];
Table[srut[n]//Length,{n,20}]

a(n) = 2 <=> n in {A008864}. - Alois P. Heinz, Jan 20 2018

a(44)-a(52) from Alois P. Heinz, Jan 20 2018

A000625 Number of n-node steric rooted ternary trees; number of n carbon alkyl radicals C(n)H(2n+1) taking stereoisomers into account.

Original entry on oeis.org

1, 1, 1, 2, 5, 11, 28, 74, 199, 551, 1553, 4436, 12832, 37496, 110500, 328092, 980491, 2946889, 8901891, 27012286, 82300275, 251670563, 772160922, 2376294040, 7333282754, 22688455980, 70361242924, 218679264772, 681018679604, 2124842137550, 6641338630714, 20792003301836

Offset: 0

N. J. A. Sloane

Nodes are unlabeled, each node has out-degree <= 3.
Steric, or including stereoisomers, means that the children of a node are taken in a certain cyclic order. If the children are rotated it is still the same tree, but any other permutation yields a different tree. See A000598 for the analogous sequence with stereoisomers not counted.
Other descriptions of this sequence: steric planted trees with n nodes; total number of monosubstituted alkanes C(n)H(2n+1)-X with n carbon atoms.
Let the entries in the nine columns of Blair and Henze's Table I (JACS 54 (1932), p. 1098) be denoted by Ps(n), Pn(n), Ss(n), Sn(n), Ts(n), Tn(n), As(n), An(n), T(n) respectively (here P = Primary, S = Secondary, T = Tertiary, s = stereoisomers, n = non-stereoisomers and the last column T(n) gives total).
Then Ps (and As) = A000620, Pn (and An, Sn) = A000621, Ss = A000622, Ts = A000623, Tn = A000624, T = this sequence. Recurrences generating these sequences are given in the Maple program in A000620.

J. K. Percus, Combinatorial Methods, Lecture Notes, 1967-1968, Courant Institute, New York University, 212pp. See pp. 64-65.
N. J. A. Sloane, A Handbook of Integer Sequences, Academic Press, 1973 (includes this sequence).
N. J. A. Sloane and Simon Plouffe, The Encyclopedia of Integer Sequences, Academic Press, 1995 (includes this sequence).

Vaclav Kotesovec, Table of n, a(n) for n = 0..1930 (first 200 terms from T. D. Noe)
C. M. Blair and H. R. Henze, The number of stereoisomeric and non-stereoisomeric mono-substitution products of the paraffins, J. Amer. Chem. Soc., 54 (3) (1932), 1098-1106.
C. M. Blair and H. R. Henze, The number of stereoisomeric and non-stereoisomeric mono-substitution products of the paraffins, J. Amer. Chem. Soc., 54 (3) (1932), 1098-1105. (Annotated scanned copy)
P. Leroux and B. Miloudi, Généralisations de la formule d'Otter, Ann. Sci. Math. Québec, Vol. 16, No. 1, pp. 53-80, 1992. (Annotated scanned copy)
G. Polya, Algebraische Berechnung der Anzahl der Isomeren einiger organischer Verbindungen, Zeit. f. Kristall., 93 (1936), 415-443, Eq. (25).
G. Polya, Algebraische Berechnung der Anzahl der Isomeren einiger organischer Verbindungen, Zeit. f. Kristall., 93 (1936), 415-443, Eq. (25). (Annotated scanned copy)
R. C. Read, The Enumeration of Acyclic Chemical Compounds, pp. 25-61 of A. T. Balaban, ed., Chemical Applications of Graph Theory, Ac. Press, 1976. [Annotated scanned copy] See p. 44.
R. W. Robinson, F. Harary and A. T. Balaban, Numbers of chiral and achiral alkanes and monosubstituted alkanes, Tetrahedron 32 (3) (1976), 355-361
R. W. Robinson, F. Harary and A. T. Balaban, Numbers of chiral and achiral alkanes and monosubstituted alkanes, Tetrahedron 32 (3) (1976), 355-361. (Annotated scanned copy)
Index entries for sequences related to rooted trees
Index entries for sequences related to trees

Cf. A000598, A000602, A000620-A000624, A000628, A010732, A010733, A086194, A086200, A239803, A239810.

A := 1; f := proc(n) global A; coeff(series( 1+(1/3)*x*(A^3+2*subs(x=x^3,A)), x, n+1), x, n); end; for n from 1 to 50 do A := series(A+f(n)*x^n,x,n +1); od: A;
A000625 := proc(n)
    local j,i,a ;
    option remember;
    if n <= 1 then
        1 ;
    else
        a :=0 ;
        for j from 1 to n-1 do
            a := a+ j*procname(j)*add(procname(i)*procname(n-j-i-1),i=0..n-j-1) ;
        end do:
        if modp(n-1,3) = 0 then
            a := a+2*(n-1)*procname((n-1)/3)/3 ;
        end if;
        a/ (n-1) ;
    end if;
end proc:
seq(A000625(n),n=0..30) ;

m = 31; c[0] = 1; gf[x_] = Sum[c[k] x^k, {k, 0, m}]; cc = Array[c, m]; coes = CoefficientList[ Series[gf[x] - 1 - (x*(gf[x]^3 + 2*gf[x^3])/3), {x, 0, m}], x] // Rest; Prepend[cc /. Solve[ Thread[ coes == 0], cc][[1]], 1]
(* Jean-François Alcover, Jun 24 2011 *)
a[0] = a[1] = 1; a[n_Integer] := a[n] = (Sum[j*a[j]*Sum[a[i]*a[n-i-j-1], {i, 0, n-j-1}], {j, 1, n-1}] + (2/3)*(n-1)*a[(n-1)/3])/(n-1); a[] = 0; Table[a[n], {n, 0, 31}] (* _Jean-François Alcover, Apr 21 2016, after Emeric Deutsch *)
terms = 32; A[] = 0; Do[A[x] = Normal[1 + x*(A[x]^3 + 2*A[x^3])/3 + O[x]^terms], terms]; CoefficientList[A[x], x] (* Jean-François Alcover, Apr 22 2016, updated Jan 11 2018 *)

a(n) = if(n, my(v=vector(n+1)); v[1]=1; v[2]=1; for(k=1, n-1, v[k+2] = sum(j=1, k, j*v[j+1]*(sum(i=0, k-j, v[i+1]*v[k-j-i+1])))/k + (2/3)*if(k%3, 0, v[k/3+1])); v[n+1], 1) \\ Jianing Song, Feb 17 2019

G.f. A(x) = 1 + x + x^2 + 2*x^3 + 5*x^4 + 11*x^5 + 28*x^6 + ... satisfies A(x) = 1 + x*(A(x)^3 + 2*A(x^3))/3.
a(0) = a(1) = 1; a(n+1) = 2*a(n/3)/3 + (Sum_{j=1..n} j*a(j)*(Sum_{i=1..n-j} a(i)*a(n-j-i)))/n for n >= 1, where a(k) = 0 if k not an integer (essentially eq (4) in the Robinson et al. paper). - Emeric Deutsch, May 16 2004
a(n) ~ c * b^n / n^(3/2), where b = 3.287112055584474991259... (see A239803), c = 0.346304267394183622435... (see A239810). - Vaclav Kotesovec, Mar 27 2014

Additional comments from Bruce Corrigan, Nov 04 2002

A000621 Number of monosubstituted alkanes C(n-1)H(2n-1)-X with n-1 carbon atoms that are not stereoisomers.

Original entry on oeis.org

1, 1, 1, 2, 3, 5, 8, 14, 23, 39, 65, 110, 184, 310, 520, 876, 1471, 2475, 4159, 6996, 11759, 19775, 33244, 55902, 93984, 158030, 265696, 446746, 751128, 1262940, 2123444, 3570318, 6002983, 10093259, 16970431, 28533590, 47975381, 80664329, 135626284, 228037752

Offset: 1

N. J. A. Sloane

Also number of monosubstituted alkanes C(n)H(2n+1)-X of the form R-CH2-X (primary) that are not stereoisomers.
Let the entries in the nine columns of Blair and Henze's Table I (JACS 54 (1932), p. 1098) be denoted by Ps(n), Pn(n), Ss(n), Sn(n), Ts(n), Tn(n), As(n), An(n), T(n) respectively (here P = Primary, S = Secondary, T = Tertiary, s = stereoisomers, n = non-stereoisomers and the last column T(n) gives total).
Then Ps (and As) = A000620, Pn (and An, Sn) = this sequence, Ss = A000622, Ts = A000623, Tn = A000624, T = A000625. Recurrences generating these sequences are given in the Maple program in A000620.

			G.f. = x + x^2 + x^3 + 2*x^4 + 3*x^5 + 5*x^6 + 8*x^7 + 14*x^8 + 23*x^9 + ...

S. R. Finch, Mathematical Constants, Cambridge, 2003, p. 300.
N. J. A. Sloane, A Handbook of Integer Sequences, Academic Press, 1973 (includes this sequence).
N. J. A. Sloane and Simon Plouffe, The Encyclopedia of Integer Sequences, Academic Press, 1995 (includes this sequence).

Vaclav Kotesovec, Table of n, a(n) for n = 1..3000. [This replaces an earlier b-file computed by Vincenzo Librandi (and corrected terms 64-1000).]
C. M. Blair and H. R. Henze, The number of stereoisomeric and non-stereoisomeric mono-substitution products of the paraffins, J. Amer. Chem. Soc., 54 (1932), 1098-1105.
C. M. Blair and H. R. Henze, The number of stereoisomeric and non-stereoisomeric mono-substitution products of the paraffins, J. Amer. Chem. Soc., 54 (3) (1932), 1098-1105. (Annotated scanned copy)
P. Flajolet and R. Sedgewick, Analytic Combinatorics, 2009; see page 283
G. Polya, Algebraische Berechnung der Anzahl der Isomeren einiger organischer Verbindungen, Zeit. f. Kristall., 93 (1936), 415-443, "q" on page 441.
G. Polya, Algebraische Berechnung der Anzahl der Isomeren einiger organischer Verbindungen, Zeit. f. Kristall., 93 (1936), 415-443, "q" on page 441. (Annotated scanned copy)
G. Polya, Kombinatorische Anzahlbestimmungen für Gruppen, Graphen und chemische Verbindungen, Acta Mathematica, vol.68, no.1, pp.145-254, (1937). (see pp.151-152).

Cf. A000620-A000625, A239804, A239806.

nmax=40; a=1-x; Do[a=1/(1-x (a/.x->x^2)),{Log[2,nmax]+2}]; CoefficientList[Series[a,{x,0,nmax-1}],x] (* Jean-François Alcover, Jun 16 2011, after Michael Somos, fixed by Vaclav Kotesovec, Mar 28 2014 *)
max = 40; cf = Fold[Function[1 - x^#2/#1], 1, 2^Reverse[Range[0, Floor[Log[2, max]]]]]; List @@ (1-Series[cf, {x, 0, 2*max}] // Normal) /. x -> 1 (* Jean-François Alcover, Sep 24 2014 *)

T(n,m):=if m=n then 1 else sum(binomial(i+m-1,i)*((1+(-1)^(n-m))/2)*T((n-m)/2,i),i,1,n-m);
makelist(T(2*n-1,1),n,1,30); /* Vladimir Kruchinin, Mar 18 2015 */

{a(n) = my(A, m); if( n<1, 0, n--; m = 1; A = 1 + O(x); while( m<=n, m *= 2; A = 1 / (1 - x * subst(A, x, x^2)) ); polcoeff( A, n )) }; /* Michael Somos, Sep 03 2007 */

G.f.: A(x) satisfies A(x) = 1/(1-x*A(x^2)), with offset 0. - Paul D. Hanna, Aug 16 2002
Given g.f. A(x), then B(x) = A(x) / x satisfies 0 = f(B(x), B(x^2), B(x^4)) where f(u, v, w) = (1 - u)^2 * w - u^2 * v * (v - 1). - Michael Somos, Sep 03 2007
G.f.: x / (1 - x / (1 - x^2 / (1 - x^4 / (1 - ...)))). - Michael Somos, Sep 03 2007
From Joerg Arndt, Oct 15 2011: (Start)
For offset 0 (as considered in the 1937 Polya reference) we have
G.f.: A(x) = 1 / (1 - x / (1 - x^2 / (1 - x^4 / (1 - ...)))) and
A(x) satisfies A(x) = 1 + x*A(x)*A(x^2) (equivalent to Hanna's functional equation).
(End)
a(n) ~ c * beta^n, where beta = 1.681367524441880255591... (see A239804), c = 0.214536139134648555630... (see A239806). Asymptotic formula a(n) ~ K * beta^n from reference (Analytic Combinatorics, p. 283), where K = 0.3607140971, beta = 1.6813675244^n is for offset 0 (beta is same, but K = c * beta = 0.360714097160142828...). - Vaclav Kotesovec, Mar 27 2014
a(n) = T(2*n-1,1), where T(n,m) = Sum_{i=1..n-m} binomial(i+m-1,i)*((1+(-1)^(n-m))/2)*T((n-m)/2,i), n > m, T(n,n)=1. - Vladimir Kruchinin, Mar 18 2015
a(n) = A253190(2*n-1,1). - R. J. Mathar, Dec 16 2015

Additional comments from Bruce Corrigan, Nov 04 2002

Formulae edited by N. J. A. Sloane, Feb 27 2006

cp's OEIS Frontend

A261340 Decimal expansion of the radius of convergence of the generating function of A000598, the number of rooted ternary trees of n vertices.

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A036676 Used by Polya in calculating A000598.

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A036677 Used by Polya in calculating A000598.

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A036670 G.f.: A(x) = x*cycle_index(S5, B(x)-1), where B(x) is g.f. for A000598.

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A036678 Used by Polya in calculating A000598.

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A076202 Erroneous version of A000598.

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A000602 Number of n-node unrooted quartic trees; number of n-carbon alkanes C(n)H(2n+2) ignoring stereoisomers.

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A298422 Number of rooted trees with n nodes in which all positive outdegrees are the same.

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A000625 Number of n-node steric rooted ternary trees; number of n carbon alkyl radicals C(n)H(2n+1) taking stereoisomers into account.

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