EMPIRICAL RELATIONSHIP BETWEEN STRUCTURE AND MOLECULAR OPTICAL-ROTATION IN CYCLOHEXANE DERIVATIVES .2.

Dihedral angle sines have been related to the molecular rotation value s of some di-, tri- and tetrasubstituted cyclo-hexane derivatives. For every compound, dihedral angles were obtained by optimization of thei r geometry using a molecular mechanics MM2 program. In general, a good concordance with experimental values was obtained.