7-(3,3-dimethyl-2-oxobutoxy)-3,4-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-3,4-dimethyl-2H-1-benzopyran-2-one
7-(3,3-dimethyl-2-oxobutoxy)-3,4-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1790 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-3,4-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C17 H20 O4 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4975 |
| logD: | 3.4975 |
| logSw: | -3.7058 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.906 |
| InChI Key: | TYGZHFIJBBBSDW-UHFFFAOYSA-N |