2-(4-methylidenecyclohex-2-en-1-yl)propan-2-yl 3,5-dinitrobenzoate
Chemical Structure Depiction of
2-(4-methylidenecyclohex-2-en-1-yl)propan-2-yl 3,5-dinitrobenzoate
2-(4-methylidenecyclohex-2-en-1-yl)propan-2-yl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 4230-0076 |
| Compound Name: | 2-(4-methylidenecyclohex-2-en-1-yl)propan-2-yl 3,5-dinitrobenzoate |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C17 H18 N2 O6 |
| Smiles: | CC(C)(C1CCC(=C)C=C1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1554 |
| logD: | 4.1554 |
| logSw: | -4.57 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.772 |
| InChI Key: | BKGZLGILOGTHAD-ZDUSSCGKSA-N |