4-methoxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-methoxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl 3,5-dinitrobenzoate
4-methoxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 4230-0041 |
| Compound Name: | 4-methoxy-4,7,7-trimethylbicyclo[4.1.0]heptan-3-yl 3,5-dinitrobenzoate |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C18 H22 N2 O7 |
| Smiles: | CC1(C)C2CC(C(C)(CC12)OC)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4886 |
| logD: | 4.4886 |
| logSw: | -4.4125 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.711 |
| InChI Key: | WNNYYHMQXUVYGL-UHFFFAOYSA-N |