Molecule ID: 5317844

IUPAC Name: (1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

Description: The molecule is a carbobicyclic compound and sesquiterpene that is 1,2,3,4,5,6,7,8-octahydroazulene which is substituted by methyl groups at positions 1 and 4 and by a (prop-1-en-2-yl group at position 7 (the 1S,4S,7R enantiomer). It has a role as a volatile oil component and a plant metabolite. It is a carbobicyclic compound and a sesquiterpene.

SMILES: C=C(C)[C@@H]1CC[C@H](C)C2=C(C1)[C@@H](C)CC2

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

InChI: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.6