di-tert-butyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di-tert-butyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
di-tert-butyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 3141-0325 |
| Compound Name: | di-tert-butyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C23 H31 Cl O6 |
| Smiles: | CC1(CC(C(C(C1C(=O)OC(C)(C)C)c1ccc(cc1)[Cl])C(=O)OC(C)(C)C)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8803 |
| logD: | 4.8789 |
| logSw: | -4.9704 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.458 |
| InChI Key: | QGSYQWMAQIQJSC-UHFFFAOYSA-N |