Molecule ID: 441005

IUPAC Name: (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

Description: The molecule is a member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1S,8aR-enantiomer). It is a delta-cadinene and a cadinene. It is an enantiomer of a (-)-delta-cadinene.

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

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

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,5-8H2,1-4H3/t13-,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 3.8