Molecule ID: 8343

IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate

Description: The molecule is a phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. It has a role as an apoptosis inhibitor, an androstane receptor agonist and a plasticiser. It is a phthalate ester and a diester.

SMILES: CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC

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

InChI: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 7.4