di(propan-2-yl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
di(propan-2-yl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0059 |
| Compound Name: | di(propan-2-yl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 394.44 |
| Molecular Formula: | C21 H27 F O6 |
| Smiles: | CC(C)OC(C1C(C(C(=O)OC(C)C)C(C)(CC1=O)O)c1cccc(c1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2192 |
| logD: | 3.2141 |
| logSw: | -3.1081 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.598 |
| InChI Key: | BUIRXUKDPLWXQU-UHFFFAOYSA-N |