5-methyl-2-(propan-2-yl)cyclohexyl 4-methyl-3-nitrobenzoate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl 4-methyl-3-nitrobenzoate
5-methyl-2-(propan-2-yl)cyclohexyl 4-methyl-3-nitrobenzoate
Compound characteristics
| Compound ID: | 0435-5679 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl 4-methyl-3-nitrobenzoate |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C18 H25 N O4 |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8898 |
| logD: | 5.8898 |
| logSw: | -5.3972 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.346 |
| InChI Key: | XINZBBUNEQVDIC-UHFFFAOYSA-N |