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 |