di(propan-2-yl) 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
di(propan-2-yl) 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0061 |
| Compound Name: | di(propan-2-yl) 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C21 H27 N O8 |
| Smiles: | CC(C)OC(C1C(C(C(=O)OC(C)C)C(C)(CC1=O)O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.06 |
| logD: | 3.0549 |
| logSw: | -3.3095 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.979 |
| InChI Key: | AQIDWBRXCNUVNG-UHFFFAOYSA-N |