In this article, the distance based on topological indices namely Wiener index and Mostar index are calculated with the structural isomers of Cyclohexane ring, Octane, Heptane and Hexane isomers. After the calculated value for the Wiener index and Mostar index are correlated with the known structural isomers of Cyclohexane, Octane, Heptane and Hexane isomers. Now in this article we conclude that, in what way the topological indices are predicted with the boiling point of the structural isomers of C6H14, C7H16, C8H18 and C9H18

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