ethyl 3-{4,8-dimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{4,8-dimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{4,8-dimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-3919 |
| Compound Name: | ethyl 3-{4,8-dimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 358.43 |
| Molecular Formula: | C21 H26 O5 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OCC=C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2384 |
| logD: | 5.2384 |
| logSw: | -5.188 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.507 |
| InChI Key: | MIFMPNJMYMJBKZ-UHFFFAOYSA-N |