Molecule ID: 129626757

IUPAC Name: (1R,3aZ,6R,9aS)-1,4,8,8-tetramethyl-1,2,3,5,6,7,9,9a-octahydrocyclopenta[8]annulen-6-ol

Description: The molecule is a bicyclic sesquiterpenoid that is 2,3,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-6-ol carrying four additional methyl substiuents at positions 1, 4, 8 and 8. It has a role as a bacterial metabolite. It is a sesquiterpenoid, a carbobicyclic compound, a secondary alcohol and a homoallylic alcohol.

SMILES: C/C1=C2\CC[C@@H](C)[C@@H]2CC(C)(C)C[C@@H](O)C1

SELFIES: [C][/C][=C][\C][C][C@@H1][Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][Ring1][#C]

InChI: InChI=1S/C15H26O/c1-10-5-6-13-11(2)7-12(16)8-15(3,4)9-14(10)13/h10,12,14,16H,5-9H2,1-4H3/b13-11-/t10-,12+,14+/m1/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.5