bis(2-methylpropyl) 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
bis(2-methylpropyl) 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
bis(2-methylpropyl) 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8014-2283 |
| Compound Name: | bis(2-methylpropyl) 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C23 H31 F O6 |
| Smiles: | CC(C)COC(C1C(C(C(=O)OCC(C)C)C(C)(CC1=O)O)c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3556 |
| logD: | 4.3366 |
| logSw: | -4.4749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.991 |
| InChI Key: | XPJNTNUMQIGRLO-UHFFFAOYSA-N |