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The Alkanes with Maximum Wiener Polarity Index
Author(s) -
Du Zhibin,
Ali Akbar
Publication year - 2019
Publication title -
molecular informatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.481
H-Index - 68
eISSN - 1868-1751
pISSN - 1868-1743
DOI - 10.1002/minf.201800076
Subject(s) - alkane , topological index , carbon fibers , polarity (international relations) , boiling point , index (typography) , wiener index , chemistry , value (mathematics) , mathematics , combinatorics , carbon number , thermodynamics , hydrocarbon , organic chemistry , physics , statistics , computer science , algorithm , graph , biochemistry , alkyl , composite number , world wide web , cell
The Wiener polarity index (usually denoted by W p ) of an alkane is the number of unordered pairs of carbon atoms which are separated by three carbon–carbon bonds. This topological index W p is useful for predicting the boiling points of alkanes. Deng [MATCH Commun. Math. Comput. Chem. 66 (2011) 305] proved that the maximum W p value among all alkanes, with n carbon atoms, is 3 n - 15 . The main purpose of present paper is to find all those alkanes with n carbon atoms, which attain the maximum value of W p .