5-methyl-2-(propan-2-yl)cyclohexyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl 3-methyl-4-nitrobenzoate
5-methyl-2-(propan-2-yl)cyclohexyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | 0526-5772 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl 3-methyl-4-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: | 5.9599 |
| logD: | 5.9599 |
| logSw: | -5.3923 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.346 |
| InChI Key: | TZATZPXKMDWUIP-UHFFFAOYSA-N |