Molecule ID: 11622

IUPAC Name: tridecan-2-one

Description: The molecule is a methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group. It has a role as a plant metabolite and a flavouring agent. It derives from a hydride of a tridecane.

SMILES: CCCCCCCCCCCC(C)=O

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

InChI: InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 5.2