Molecule ID: 7462

IUPAC Name: 1-methyl-4-propan-2-ylcyclohexa-1,3-diene

Description: The molecule is one of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton. It has a role as a volatile oil component and a plant metabolite. It is a monoterpene and a cyclohexadiene.

SMILES: CC1=CC=C(C(C)C)CC1

SELFIES: [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2]

InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 2.8