Molecule ID: 8345

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

Description: The molecule is a phthalate ester obtained by the formal condensation of both the carboxy groups of phthalic acid with two molecules of 2-butoxyethanol. It has a role as a xenobiotic. It is a diester and a phthalate ester. It derives from a 2-butoxyethanol.

SMILES: CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC

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

InChI: InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3

Molecular Properties:
- Polar Surface Area: 71.1 Ų
- LogP: 4.4