4-butyl-7-(3,3-dimethyl-2-oxobutoxy)-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-(3,3-dimethyl-2-oxobutoxy)-8-methyl-2H-1-benzopyran-2-one
4-butyl-7-(3,3-dimethyl-2-oxobutoxy)-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2172 |
| Compound Name: | 4-butyl-7-(3,3-dimethyl-2-oxobutoxy)-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 330.42 |
| Molecular Formula: | C20 H26 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9566 |
| logD: | 4.9566 |
| logSw: | -4.7921 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.163 |
| InChI Key: | HHAMRZWKAOKDLQ-UHFFFAOYSA-N |