5-methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate
5-methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate
Compound characteristics
| Compound ID: | 4483-2397 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl 2-(4-nitrophenyl)-2-oxoethyl butanedioate |
| Molecular Weight: | 419.47 |
| Molecular Formula: | C22 H29 N O7 |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(CCC(=O)OCC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0805 |
| logD: | 5.0805 |
| logSw: | -4.9305 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.833 |
| InChI Key: | XWUWJQFHHRAQMX-UHFFFAOYSA-N |