Abstract
1. Taking into account the nonvalence interactions of the atoms, the torsion energy, and the reactions of the functional groups, we calculated the geometric conformations and the energies of the optimum conformations of the compounds CH2=CH(CH2)nR, where R = OH or OCH3, and n = 2–5. 2. In alcohols the most favorable conditions for the formation of an intramolecular hydrogen bond are realized when n = 2. In ethers the interaction of the unshared pairs of oxygen with the double bond can be realized in the coiled forms of molecules with n = 3, which is in agreement with their high reactivity. 3. The effect of replacing the hydrogen atoms by methyl groups on the potential energy of the molecules was discussed.
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