3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4553 |
| Compound Name: | 3-hexyl-4-methyl-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 330.42 |
| Molecular Formula: | C20 H26 O4 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OC(C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1642 |
| logD: | 5.1642 |
| logSw: | -5.0027 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.776 |
| InChI Key: | DRXWYMNJMRKMQY-HNNXBMFYSA-N |