Molecule ID: 176983

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

Description: The molecule is a monoterpene that is cyclohexa-1,3-diene substituted at positions 1 and 4 by methyl and prop-1-en-2-yl groups respectively. It has a role as a plant metabolite, a human xenobiotic metabolite and a volatile oil component. It is a monoterpene and a cyclohexadiene. It derives from a p-menthane.

SMILES: C=C(C)C1=CC=C(C)CC1

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

InChI: InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 3.0