Molecule ID: 19800

IUPAC Name: 2-butyloctan-1-ol

Description: The molecule is a primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a primary alcohol, a fatty alcohol and an alkyl alcohol. It derives from a hydride of an octane.

SMILES: CCCCCCC(CO)CCCC

SELFIES: [C][C][C][C][C][C][C][Branch1][Ring1][C][O][C][C][C][C]

InChI: InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3

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