Molecule ID: 56927726

IUPAC Name: (1S,2R,5S,8R)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-1-ol

Description: The molecule is a carbotricyclic compound that is tricyclo[6.3.1.0(2,5)]dodecane which is substituted by a hydroxy group at position 1 and by methyl groups at positions 4, 4, and 8 (the 1S,2R,5S,8R-diastereoisomer). It has a role as a bacterial metabolite. It is a sesquiterpenoid, a carbotricyclic compound and a tertiary alcohol.

SMILES: CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)CCC[C@]2(O)C1

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

InChI: InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-14(3)6-4-7-15(12,16)10-14/h11-12,16H,4-10H2,1-3H3/t11-,12+,14+,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 4.2