Molecule ID: 442519

IUPAC Name: (5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-ol

Description: The molecule is a sesquiterpenoid consisting of 5,6,7,8-tetrahydronaphthalen-1-ol having two methyl substituents at the 3- and 8-positions, an isopropyl substituent at the 5-position and (+)-(5R,8S)-configuration. It is a sesquiterpenoid and a carbobicyclic compound. It derives from a hydride of a cadinane.

SMILES: Cc1cc(O)c2c(c1)[C@@H](C(C)C)CC[C@@H]2C

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

InChI: InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 4.8