4-butyl-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one
4-butyl-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3723 |
| Compound Name: | 4-butyl-7-(3,3-dimethyl-2-oxobutoxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C19 H24 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3741 |
| logD: | 4.3741 |
| logSw: | -4.5252 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.392 |
| InChI Key: | SMLRKUVHSVCJKC-UHFFFAOYSA-N |