diethyl 4-hydroxy-4-methyl-6-oxo-2-(thiophen-2-yl)cyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 4-hydroxy-4-methyl-6-oxo-2-(thiophen-2-yl)cyclohexane-1,3-dicarboxylate
diethyl 4-hydroxy-4-methyl-6-oxo-2-(thiophen-2-yl)cyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K908-0026 |
| Compound Name: | diethyl 4-hydroxy-4-methyl-6-oxo-2-(thiophen-2-yl)cyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 354.42 |
| Molecular Formula: | C17 H22 O6 S |
| Smiles: | CCOC(C1C(C(C(=O)OCC)C(C)(CC1=O)O)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9483 |
| logD: | 1.935 |
| logSw: | -2.1506 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.258 |
| InChI Key: | MXPSHXUSZHGSQS-UHFFFAOYSA-N |