Constructive enumeration of chiral isomers of alkanes

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The problem of exhaustive and non-redundant generation of formulas of chiral isomers of alkanes was considered. The procedure starts with the generation of optimal codes of all N-alkane structures (N denotes the number of carbon atoms.) and then the algorithm determines whether a given structure contains at least a single carbon atom, with four different substituents. In order to accomplish these tasks, two simple rules have been used to delete redundant structures and determine whether two (alkyl) branches are identical or not.

Original languageEnglish
Pages (from-to)295-300
Number of pages6
JournalCroatica Chemica Acta
Volume77
Issue number1-2
Publication statusPublished - May 1 2004

    Fingerprint

Keywords

  • Canonical numbering
  • Chiral isomers of alkanes
  • Codes of Morgan trees
  • Generation of structural formulas

ASJC Scopus subject areas

  • Chemistry(all)

Cite this