di(propan-2-yl) 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
di(propan-2-yl) 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0064 |
| Compound Name: | di(propan-2-yl) 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 410.89 |
| Molecular Formula: | C21 H27 Cl O6 |
| Smiles: | CC(C)OC(C1C(C(C(=O)OC(C)C)C(C)(CC1=O)O)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7291 |
| logD: | 3.724 |
| logSw: | -4.2253 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.598 |
| InChI Key: | CTPJHIYBLCRVGW-UHFFFAOYSA-N |