Molecule ID: 44290880

IUPAC Name: 5-[9-(2,3-dihydroxyphenyl)nonyl]-3-methylideneoxolan-2-one

Description: The molecule is a butan-4-olide having a methylidene group at the 3-position and a 9-(2,3-dihydroxyphenyl)nonyl substituent at the 5-position. It is a butan-4-olide and a member of catechols.

SMILES: C=C1CC(CCCCCCCCCc2cccc(O)c2O)OC1=O

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

InChI: InChI=1S/C20H28O4/c1-15-14-17(24-20(15)23)12-8-6-4-2-3-5-7-10-16-11-9-13-18(21)19(16)22/h9,11,13,17,21-22H,1-8,10,12,14H2

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 6.0