Molecule ID: 11831045

IUPAC Name: (1R,4S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol

Description: The molecule is a carbobicyclic compound that is cis-decalin substituted by a propan-2-yl group at position 1, methyl groups at position 4 and 7, and a hydroxy group at position 4a, and containing a double bond between positions 7 and 8 (the 1R,4S,4aR,8aS diastereoisomer). It is a carbobicyclic compound, a sesquiterpenoid, a tertiary alcohol and a member of octahydronaphthalenes.

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

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

InChI: InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.7