2-[(4,5-dimethoxy-2-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Chemical Structure Depiction of
2-[(4,5-dimethoxy-2-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
2-[(4,5-dimethoxy-2-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Compound characteristics
| Compound ID: | 8006-6442 |
| Compound Name: | 2-[(4,5-dimethoxy-2-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione |
| Molecular Weight: | 473.52 |
| Molecular Formula: | C25 H31 N O8 |
| Smiles: | CC1(C)CC(=C(C(C2C(CC(C)(C)CC2=O)=O)c2cc(c(cc2[N+]([O-])=O)OC)OC)C(C1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2609 |
| logD: | -0.0722 |
| logSw: | -2.1028 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.342 |
| InChI Key: | LFYKMNRTXIMMGU-OAQYLSRUSA-N |