Molecule ID: 6429274

IUPAC Name: (1R,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

Description: The molecule is a sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a cis-ring junction, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. It has a role as a metabolite. It is a sesquiterpene and an ortho-fused bicyclic hydrocarbon.

SMILES: C=C1CC/C=C(\C)CC[C@@H]2[C@H]1CC2(C)C

SELFIES: [C][=C][C][C][/C][=C][Branch1][C][\C][C][C][C@@H1][C@H1][Ring1][#Branch2][C][C][Ring1][Ring2][Branch1][C][C][C]

InChI: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.4