Molecule ID: 45266870

IUPAC Name: 5-(2,3-dimethoxy-4-methylphenyl)pentanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid, formed by proton loss from the carboxy group. It is a conjugate base of a 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid.

SMILES: COc1c(C)ccc(CCCCC(=O)[O-])c1OC

SELFIES: [C][O][C][=C][Branch1][C][C][C][=C][C][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O-1][=C][Ring1][=C][O][C]

InChI: InChI=1S/C14H20O4/c1-10-8-9-11(6-4-5-7-12(15)16)14(18-3)13(10)17-2/h8-9H,4-7H2,1-3H3,(H,15,16)/p-1

Molecular Properties:
- Polar Surface Area: 58.6 Ų
- LogP: 3.5