di-tert-butyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Chemical Structure Depiction of
di-tert-butyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
di-tert-butyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 5340-2732 |
| Compound Name: | di-tert-butyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate |
| Molecular Weight: | 449.5 |
| Molecular Formula: | C23 H31 N O8 |
| Smiles: | CC1(CC(C(C(C1C(=O)OC(C)(C)C)c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)(C)C)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1567 |
| logD: | 4.1554 |
| logSw: | -4.4281 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.84 |
| InChI Key: | KJUOOIWMFCZXRI-UHFFFAOYSA-N |