ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]propanoate
Chemical Structure Depiction of
ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]propanoate
ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]propanoate
Compound characteristics
| Compound ID: | Y040-7022 |
| Compound Name: | ethyl 3-[7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]propanoate |
| Molecular Weight: | 374.43 |
| Molecular Formula: | C21 H26 O6 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(cc2OC1=O)OCC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8868 |
| logD: | 3.8868 |
| logSw: | -4.1186 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.065 |
| InChI Key: | DDKPLNZGUOAZNW-UHFFFAOYSA-N |