Wiener Indices and Partition Coefficients of Unsaturated Hydrocarbons

The Wiener index W was defined originally for saturated hydrocarbons. In this work the definition of W was extended for unsaturated hydrocarbons: W = W s + W d + W t + W a , where s, d, t, and a refer to the contributions of single, double, triple and aromatic bonds, respectively. Good correlation (r = 0.95) could be demonstrated between the logarithms of n‐octanol‐water partition coefficients of the molecules and the components W s , W d , W t and W a .