Molecule ID: 8561

IUPAC Name: dipentyl benzene-1,2-dicarboxylate

Description: The molecule is a phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid. It has a role as a plasticiser. It is a phthalate ester and a diester. It derives from a pentan-1-ol.

SMILES: CCCCCOC(=O)c1ccccc1C(=O)OCCCCC

SELFIES: [C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C]

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

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 5.8