Enumeration of constitutional isomers of methyl alkanes by means of alkyl biradicals: equivalence of odd and even isomer series of symmetrical methyl alkanes (Q6156587)

In the present paper, the author presents an enumeration method for the number of constitutional isomers of methyl alkanes, which are branched-chain alkanes with all branches \(\mathrm{CH}_3\) formed from methanediyl radicals :\(\mathrm{CH}_2\), 1,1-ethanediyl radicals :\(\mathrm{CH}\)--\(\mathrm{CH}_3\), 2,2-propanediyl radicals :\(\mathrm{C}\)--\(\mathrm({CH}_3)_2\), and 2 methyl radicals \(\cdot \mathrm{CH}_3\). More precisely, suppose that for a methyl alkane with \(n \geq 4\) carbon atoms \(a\) denotes the number of methanediyl radicals :\(\mathrm{CH}_2\), \(b\) denotes the number of 1,1-ethanediyl radicals :\(\mathrm{CH}\)--\(\mathrm{CH}_3\), and \(c\) denotes the number of 2,2-propanediyl radicals :\(\mathrm{C}\)--\(\mathrm({CH}_3)_2\). Therefore, we obtain a Diophantine equation \(a+2b+3c+2=n\), where \(a \neq n-2\). Next, let \(S_n (a, b, c)\) denote the number of symmetrical methyl alkanes and \(AS_n(a, b, c)\) the number of asymmetrical methyl alkanes with \(n\) carbon atoms such that \(a\), \(b\), and \(c\) are equal to the numbers of methanediyl radicals :\(\mathrm{CH}_2\), 1,1-ethanediyl radicals :\(\mathrm{CH}\)--\(\mathrm{CH}_3\), and 2,2-propanediyl radicals :\(\mathrm{C}\)--\(\mathrm({CH}_3)_2\), respectively. Obviously, the number of constitutional isomers of methyl alkanes for a fixed solution \((a, b, c)\) equals \(S_n (a, b, c) + AS_n (a, b, c)\). On the other hand, the author states that \[S_n (a, b, c) + 2AS_n (a, b, c) = \frac{(a+b+c)!}{a!\,b!\,c!}\] and describes how to calculate the number \(S_n(a,b,c)\) by considering several different conditions. Consequently, by using the above equation one can then calculate the number \(AS_n(a,b,c)\) and therefore also the number of constitutional isomers.