6-(3-bromophenyl)-5-ethyl-3,3-dimethyloxane-2,4-dione
Chemical Structure Depiction of
6-(3-bromophenyl)-5-ethyl-3,3-dimethyloxane-2,4-dione
6-(3-bromophenyl)-5-ethyl-3,3-dimethyloxane-2,4-dione
Compound characteristics
| Compound ID: | 3568-0120 |
| Compound Name: | 6-(3-bromophenyl)-5-ethyl-3,3-dimethyloxane-2,4-dione |
| Molecular Weight: | 325.2 |
| Molecular Formula: | C15 H17 Br O3 |
| Smiles: | CCC1C(c2cccc(c2)[Br])OC(C(C)(C)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8026 |
| logD: | 3.8026 |
| logSw: | -3.8958 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.825 |
| InChI Key: | WQODTAZBDZLKLW-UHFFFAOYSA-N |