Bis(2-Ethylhexyl) Phthalate
Representations & DB's id
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| ChEBI: | CHEBI:17747 | |
|---|---|---|
| ChEMBL: | CHEMBL1242017 | |
| PubChem: | 8343 | |
| IUPAC: | bis(2-ethylhexyl) benzene-1,2-dicarboxylate | |
| Standard 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 | |
| Standard InChI Key: | BJQHLKABXJIVAM-UHFFFAOYSA-N | |
| SMILES: | CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC | |
Molecular propeties
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| AlogP: | 6.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 14 | |
| Number of rings: | 1 | |
| Molecular Weight: | 390.28 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 24 | |