Molecule ID: 6548

IUPAC Name: 3,7-dimethyloctan-3-ol

Description: The molecule is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a fatty alcohol, an alkyl alcohol and a tertiary alcohol.

SMILES: CCC(C)(O)CCCC(C)C

SELFIES: [C][C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][Branch1][C][C][C]

InChI: InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 3.3