The Alkanes with Maximum Wiener Polarity Index

Zhibin Du; Akbar Ali

doi:10.1002/minf.201800076

The Alkanes with Maximum Wiener Polarity Index

Mol Inform. 2019 Jan;38(1-2):e1800076. doi: 10.1002/minf.201800076. Epub 2018 Aug 9.

Authors

Zhibin Du^{1

2}, Akbar Ali³

Affiliations

¹ School of Mathematics and Statistics, Zhaoqing University, Zhaoqing, 526061, Guangdong, P.R. China.
² Institute of Mathematics, Academia Sinica, Taipei, 10617, Taiwan.
³ Knowledge Unit of Science, University of Management & Technology, Sialkot, Pakistan.

PMID: 30091531
DOI: 10.1002/minf.201800076

Abstract

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 $W_{p}$ .

Keywords: Alkanes; Chemical graph theory; Molecular trees; Topological index; Wiener polarity index.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Algorithms*
Alkanes / chemistry*
Carbon / analysis
Isomerism
Models, Chemical*

Substances

Alkanes
Carbon