The Alkanes with Maximum Wiener Polarity Index. Issue 1 (9th August 2018)

• Record Type: Journal Article
• Authors: Du, Zhibin; Ali, Akbar
• Is Part Of: Molecular informatics. Volume 38:Issue 1/2(2019)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2018-08-09
• Subjects: Alkanes -- Chemical graph theory -- Topological index -- Wiener polarity index -- Molecular trees; Cheminformatics -- Periodicals; QSAR (Biochemistry) -- Periodicals; Structure-activity relationships (Biochemistry) -- Periodicals; Drugs -- Structure-activity relationships -- Periodicals; 615.19
• DOI: 10.1002/minf.201800076
• Languages: English
• ISSNs: 1868-1743

Abstract

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 . Abstract :