7-(3,3-dimethyl-2-oxobutoxy)-3-ethyl-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-3-ethyl-4-methyl-2H-1-benzopyran-2-one
7-(3,3-dimethyl-2-oxobutoxy)-3-ethyl-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-0640 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-3-ethyl-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C18 H22 O4 |
| Smiles: | CCC1=C(C)c2ccc(cc2OC1=O)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9003 |
| logD: | 3.9003 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.906 |
| InChI Key: | QQEZZOHBVWBUAF-UHFFFAOYSA-N |