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

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.

Analyzing the expected values of neighborhood degree-based topological indices in random cyclooctane chains.

Cyclooctane is classified as a cycloalkane, characterized by the chemical formula C 8 H 16. It consists of a closed ring structure composed of eight carbon atoms and sixteen hydrogen atoms. A cyclooctane chain typically refers to a series of cyclooctane molecules linked together. Cyclooctane and its derivatives find various applications in chemistry, materials science, and industry. Topological indices are numerical values associated with the molecular graph of a chemical compound, predicting certain physical or chemical properties. In this study, we calculated the expected values of degree-based and neighborhood degree-based topological descriptors for random cyclooctane chains. A comparison of these topological indices' expected values is presented at the end.

Computation of expected values of some connectivity based topological descriptors of random cyclooctane chains.

Cyclooctane is a cycloalkane consisting of carbon and hydrogen atoms arranged in a closed ring structure. Cyclooctane chains can be found in various organic compounds and are significant in the field of organic chemistry due to their diverse reactivity and properties. The atom-bond connectivity index ( A B C ), the geometric-arithmetic index ( G A ), the arithmetic-geometric index ( A G ) and the forgotten index ( F ) are four well-studied molecular descriptors that have found applications in QSPR and QSAR studies. These topological descriptors have shown significant correlations with different physiochemical properties of octane isomers. In this work, the expected values of four degree based topological descriptors for random cyclooctane chains are calculated. An analytical comparison is given between the expected values of A B C , G A , A G , and F indices of random cyclooctane chains.