Bis(6-Methylheptyl) Benzene-1,2-Dicarboxylate
Representations & DB's id
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| ChEBI: | CHEBI:34710 | |
|---|---|---|
| ChEMBL: | CHEMBL3186540 | |
| PubChem: | 33934 | |
| IUPAC: | bis(6-methylheptyl) benzene-1,2-dicarboxylate | |
| Standard InChI: | InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3 | |
| Standard InChI Key: | IJFPVINAQGWBRJ-UHFFFAOYSA-N | |
| SMILES: | CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C | |
Molecular propeties
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| AlogP: | 6.43 | |
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| 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 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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