diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 1670-1688 |
| Compound Name: | diethyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 393.39 |
| Molecular Formula: | C19 H23 N O8 |
| Smiles: | CCOC(C1C(C(C(=O)OCC)C(C)(CC1=O)O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.251 |
| logD: | 2.2319 |
| logSw: | -2.3698 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.621 |
| InChI Key: | LRQXDKAQYSRKPX-UHFFFAOYSA-N |