Molecule ID: 70698391

IUPAC Name: 6-[4-(5,5-dimethyloxolan-3-yl)phenoxy]hexanoic acid

Description: The molecule is a monocarboxylic acid that is caproic (hexanoic) acid substituted at C-6 by a 4-(5,5-dimethyltetrahydrofuran-3-yl)phenoxy group. It is an aromatic ether and a monocarboxylic acid.

SMILES: CC1(C)CC(c2ccc(OCCCCCC(=O)O)cc2)CO1

SELFIES: [C][C][Branch1][C][C][C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][#C][C][O][Ring2][Ring1][Branch1]

InChI: InChI=1S/C18H26O4/c1-18(2)12-15(13-22-18)14-7-9-16(10-8-14)21-11-5-3-4-6-17(19)20/h7-10,15H,3-6,11-13H2,1-2H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 3.1