Molecule ID: 12306052

IUPAC Name: (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene

Description: The molecule is a member of the cadinene family of sesquiterpenes having a 4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene skeleton with 1S,4aR,8aS-stereochemistry. It is isolated from the essential oils of several plant species. It has a role as a plant metabolite. It is a cadinene and a polycyclic olefin.

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

SELFIES: [C][C][=C][C@H1][C@@H1][Branch1][Branch1][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][C][C@H1][Ring1][=Branch2][C][Branch1][C][C][C]

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

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.1