Molecule ID: 12300073

IUPAC Name: (1S,5S,6S)-6-methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane

Description: The molecule is a sesquiterpene consisting of a bicyclo[3.1.1]heptane skeleton substituted at position 2 by a methylidene group and at position 6 by methyl and 4-methylpent-3-en-1-yl groups (the all-S diastereoisomer). It has a role as a plant metabolite. It is a bridged compound and a sesquiterpene.

SMILES: C=C1CC[C@H]2C[C@@H]1[C@@]2(C)CCC=C(C)C

SELFIES: [C][=C][C][C][C@H1][C][C@@H1][Ring1][=Branch1][C@@][Ring1][Ring2][Branch1][C][C][C][C][C][=C][Branch1][C][C][C]

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

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.1