Dioctyl Benzene-1,2-Dicarboxylate
Representations & DB's id
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| ChEBI: | CHEBI:34679 | |
|---|---|---|
| ChEMBL: | CHEMBL1409747 | |
| PubChem: | 8346 | |
| IUPAC: | dioctyl benzene-1,2-dicarboxylate | |
| Standard InChI: | InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 | |
| Standard InChI Key: | MQIUGAXCHLFZKX-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC | |
Molecular propeties
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| AlogP: | 6.72 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 16 | |
| 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 | |