Molecule ID: 14045

IUPAC Name: 2,3,5-trimethylhexane

Description: The molecule is an alkane that is hexane substituted by a methyl group at positions 2,3 and 5. It has a role as a human metabolite. It is an alkane and a volatile organic compound. It derives from a hydride of a hexane.

SMILES: CC(C)CC(C)C(C)C

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

InChI: InChI=1S/C9H20/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.2