Molecule ID: 92313

IUPAC Name: (1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene

Description: The molecule is a member of the cadinene family of sesquiterpenes in which the isopropyl group is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,4aS,8aS enantiomer). It has a role as a metabolite. It is a cadinene and a member of octahydronaphthalenes. It is an enantiomer of a (+)-gamma-cadinene.

SMILES: C=C1CC[C@H](C(C)C)[C@H]2C=C(C)CC[C@H]12

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

InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.3