Molecule ID: 58067884

IUPAC Name: (4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene

Description: The molecule is a bicyclic sesquiterpene that is 2,4,5,6,7,7a-hexahydro-1H-indene substituted at positions 3 and 7 by methyl groups and at position 4 by a 3,3-dimethylallyl group (the 4S,7R,7aR-stereoisomer). It has a role as a metabolite. It is a sesquiterpene and a carbobicyclic compound.

SMILES: CC(C)=C[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C12

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

InChI: InChI=1S/C15H24/c1-10(2)9-13-7-5-11(3)14-8-6-12(4)15(13)14/h9,11,13-14H,5-8H2,1-4H3/t11-,13+,14-/m1/s1

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