di(propan-2-yl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di(propan-2-yl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
di(propan-2-yl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5665-0062 |
| Compound Name: | di(propan-2-yl) 4-hydroxy-4-methyl-2-(3-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)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0055 |
| logD: | 3.0004 |
| logSw: | -3.1303 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.979 |
| InChI Key: | LTAJSQLTORSAHL-UHFFFAOYSA-N |