5,5-diethyl-3,3-dimethyl-6-(phenylethynyl)oxane-2,4-dione
Chemical Structure Depiction of
5,5-diethyl-3,3-dimethyl-6-(phenylethynyl)oxane-2,4-dione
5,5-diethyl-3,3-dimethyl-6-(phenylethynyl)oxane-2,4-dione
Compound characteristics
| Compound ID: | 8012-8382 |
| Compound Name: | 5,5-diethyl-3,3-dimethyl-6-(phenylethynyl)oxane-2,4-dione |
| Molecular Weight: | 298.38 |
| Molecular Formula: | C19 H22 O3 |
| Smiles: | CCC1(CC)C(C#Cc2ccccc2)OC(C(C)(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3698 |
| logD: | 4.3698 |
| logSw: | -4.2762 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.067 |
| InChI Key: | ACYJHSKFIFZBFZ-OAHLLOKOSA-N |