Molecule ID: 138787

IUPAC Name: 3,8-dimethyldeca-4,6-diyne-3,8-diol

Description: The molecule is an acetylenic compound that is deca-4,6-diyne substituted by methyl groups at positions 3 and 8 and hydroxy groups at positions 3 and 8 respectively. It has a role as a metabolite. It is an acetylenic compound and a diol.

SMILES: CCC(C)(O)C#CC#CC(C)(O)CC

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

InChI: InChI=1S/C12H18O2/c1-5-11(3,13)9-7-8-10-12(4,14)6-2/h13-14H,5-6H2,1-4H3

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 1.5