Molecule ID: 5316205

IUPAC Name: 1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexa-1,3-diene

Description: The molecule is a sesquiterpene that consists of cyclohexa-1,3-diene bearing a methyl substituent at position 1 and an (S)-1,2,2-trimethylcyclopent-1-yl group at position 4. It has a role as a plant metabolite. It is a sesquiterpene and an alicyclic compound.

SMILES: CC1=CC=C([C@@]2(C)CCCC2(C)C)CC1

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

InChI: InChI=1S/C15H24/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6,8H,5,7,9-11H2,1-4H3/t15-/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.8