di-tert-butyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di-tert-butyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
di-tert-butyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0095 |
| Compound Name: | di-tert-butyl 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C25 H36 O7 |
| Smiles: | CCOc1ccc(cc1)C1C(C(CC(C)(C1C(=O)OC(C)(C)C)O)=O)C(=O)OC(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6545 |
| logD: | 4.6532 |
| logSw: | -4.4945 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.582 |
| InChI Key: | WBBRMPQIPUIEHF-UHFFFAOYSA-N |