The Alkanes with Maximum Wiener Polarity Index
Zhibin Du, Akbar Ali · Molecular Informatics · 2018
Abstract The Wiener polarity index (usually denoted by ) of an alkane is the number of unordered pairs of carbon atoms which are separated by three carbon–carbon bonds. This topological index is useful for predicting the boiling points of alkanes. Deng [MATCH Commun. Math. Comput. Chem. 66 (2011) 305] proved that the maximum value among all alkanes, with n carbon atoms, is . The main purpose of present paper is to find all those alkanes with n carbon atoms, which attain the maximum value of .