rel-(2R,5S)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
rel-(2R,5S)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
rel-(2R,5S)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8019-4582 |
| Compound Name: | rel-(2R,5S)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 222.24 |
| Molecular Formula: | C11 H14 N2 O3 |
| Smiles: | Cc1cc(C)n([C@H]2CC([C@@H]3OCC2O3)=O)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.2052 |
| logD: | -0.2052 |
| logSw: | -0.5117 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.267 |
| InChI Key: | YWVXTXRVYLHDQS-OZVHHXTHSA-N |