ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]propanoate
Chemical Structure Depiction of
ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]propanoate
ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]propanoate
Compound characteristics
| Compound ID: | Y040-7032 |
| Compound Name: | ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]propanoate |
| Molecular Weight: | 388.46 |
| Molecular Formula: | C22 H28 O6 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OCC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4619 |
| logD: | 4.4619 |
| logSw: | -4.5043 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.836 |
| InChI Key: | HFQMMIVBVVGHTA-UHFFFAOYSA-N |