On the Multiplicative Wiener Index and Its Possible Chemical Applications

Summary.

 The recently introduced multiplicative Wiener index π is a molecular structure descriptor equal to the product of the distances between all pairs of vertices of the underlying molecular graph. It was expected that π has a different structure dependency than the ordinary Wiener index W which is equal to the sum of vertex distances. We now show that this is not the case: for a variety of classes of isomeric alkanes, monocycloalkanes, bicycloalkanes, benzenoid hydrocarbons, and phenylenes a very good (either linear or slightly curvilinear) correlation between π and W is found. For homologous series, the relation between π and W happens to be somewhat less simple. For alkanes, approaches asymptotically ln W, with C being a constant depending on the particular homologous series considered.