Exploring expected values of topological indices of random cyclodecane chains for chemical insights

Sci Rep. 2024 May 2;14(1):10065. doi: 10.1038/s41598-024-60484-x.

Abstract

Chemical graph theory has made a significant contribution to understand the chemical compound properties in the modern era of chemical science. At present, calculation of the topological indices is one of most important area of research in the field of chemical graph theory. Cyclodecane is a cyclic hydrocarbon with the chemical formula C 10 H 20 . It consists of a ring of ten carbon atoms bonded together in a cyclical structure. Cyclodecane chains can be part of larger molecules or polymers, where multiple cyclodecane rings are connected together. These molecules can have various applications in chemistry, materials science, and pharmaceuticals. This article aims to determine expected values of some connectivity based topological indices of random cyclodecane chains, containing saturated hydrocarbons with at least two rings. It also compares these descriptors using explicit formulae, numerical tables and present graphical profiles of these comparisons.

Keywords: Chemical graph theory; Cyclodecane chains; Expected values; Topological indices.