di(propan-2-yl) 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
di(propan-2-yl) 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0071 |
| Compound Name: | di(propan-2-yl) 2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 420.5 |
| Molecular Formula: | C23 H32 O7 |
| Smiles: | CCOc1ccc(cc1)C1C(C(CC(C)(C1C(=O)OC(C)C)O)=O)C(=O)OC(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5033 |
| logD: | 3.4982 |
| logSw: | -3.4048 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.721 |
| InChI Key: | UMLFZCYFMXRADE-UHFFFAOYSA-N |