7-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-2H-1-benzopyran-2-one
7-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1137 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 288.34 |
| Molecular Formula: | C17 H20 O4 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.381 |
| logD: | 3.381 |
| logSw: | -3.7611 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.392 |
| InChI Key: | YSEZDOWWMKZAMH-UHFFFAOYSA-N |