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1.
Front Chem ; 12: 1388097, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38736686

RESUMEN

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.

2.
Sci Rep ; 14(1): 7713, 2024 Apr 02.
Artículo en Inglés | MEDLINE | ID: mdl-38565867

RESUMEN

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.

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