4,4-dimethyl-1-(4-nitrophenyl)-2-oxaspiro[5.5]undecane-3,5-dione
Chemical Structure Depiction of
4,4-dimethyl-1-(4-nitrophenyl)-2-oxaspiro[5.5]undecane-3,5-dione
4,4-dimethyl-1-(4-nitrophenyl)-2-oxaspiro[5.5]undecane-3,5-dione
Compound characteristics
| Compound ID: | 8013-0555 |
| Compound Name: | 4,4-dimethyl-1-(4-nitrophenyl)-2-oxaspiro[5.5]undecane-3,5-dione |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C18 H21 N O5 |
| Smiles: | CC1(C)C(C2(CCCCC2)C(c2ccc(cc2)[N+]([O-])=O)OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7423 |
| logD: | 3.7423 |
| logSw: | -3.8734 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.127 |
| InChI Key: | QFIKZFLDORQCPL-CQSZACIVSA-N |