Molecule ID: 13856912

IUPAC Name: 3,8-dimethyl-5-propan-2-yl-1,2,6,7,8,8a-hexahydroazulene

Description: The molecule is a bicyclic sesquiterpene that is 1,2,6,7,8,8a-hexahydroazulene carrying an isopropyl substituent at position 5 as well as two methyl substituents at positions 5 and 8. It has a role as a plant metabolite. It is a sesquiterpene, a polycyclic olefin and a carbobicyclic compound.

SMILES: CC1=C2C=C(C(C)C)CCC(C)C2CC1

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

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

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.0