4,4-dimethyl-3-(2-nitrophenyl)-2-oxaspiro[5.5]undecane-1,5-dione
Chemical Structure Depiction of
4,4-dimethyl-3-(2-nitrophenyl)-2-oxaspiro[5.5]undecane-1,5-dione
4,4-dimethyl-3-(2-nitrophenyl)-2-oxaspiro[5.5]undecane-1,5-dione
Compound characteristics
| Compound ID: | 8013-0554 |
| Compound Name: | 4,4-dimethyl-3-(2-nitrophenyl)-2-oxaspiro[5.5]undecane-1,5-dione |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C18 H21 N O5 |
| Smiles: | CC1(C)C(c2ccccc2[N+]([O-])=O)OC(C2(CCCCC2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0801 |
| logD: | 4.0801 |
| logSw: | -4.1405 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.826 |
| InChI Key: | DEPWQIKXPWIFQD-CQSZACIVSA-N |