6-(4-chlorophenyl)-3-ethyl-5,5-dimethyloxane-2,4-dione
Chemical Structure Depiction of
6-(4-chlorophenyl)-3-ethyl-5,5-dimethyloxane-2,4-dione
6-(4-chlorophenyl)-3-ethyl-5,5-dimethyloxane-2,4-dione
Compound characteristics
| Compound ID: | 8011-0819 |
| Compound Name: | 6-(4-chlorophenyl)-3-ethyl-5,5-dimethyloxane-2,4-dione |
| Molecular Weight: | 280.75 |
| Molecular Formula: | C15 H17 Cl O3 |
| Smiles: | CCC1C(C(C)(C)C(c2ccc(cc2)[Cl])OC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9873 |
| logD: | 3.9852 |
| logSw: | -4.5576 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.825 |
| InChI Key: | GKAGFQRGLYYHII-UHFFFAOYSA-N |