diethyl 4-hydroxy-4-methyl-2-[4-(methylsulfanyl)phenyl]-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 4-hydroxy-4-methyl-2-[4-(methylsulfanyl)phenyl]-6-oxocyclohexane-1,3-dicarboxylate
diethyl 4-hydroxy-4-methyl-2-[4-(methylsulfanyl)phenyl]-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K908-0020 |
| Compound Name: | diethyl 4-hydroxy-4-methyl-2-[4-(methylsulfanyl)phenyl]-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C20 H26 O6 S |
| Smiles: | CCOC(C1C(C(C(=O)OCC)C(C)(CC1=O)O)c1ccc(cc1)SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0446 |
| logD: | 3.0256 |
| logSw: | -3.069 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.239 |
| InChI Key: | LYAQGMNUNZHKRV-UHFFFAOYSA-N |