methyl [7-(3,3-dimethyl-2-oxobutoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Chemical Structure Depiction of
methyl [7-(3,3-dimethyl-2-oxobutoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]acetate
methyl [7-(3,3-dimethyl-2-oxobutoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Compound characteristics
| Compound ID: | Y040-2554 |
| Compound Name: | methyl [7-(3,3-dimethyl-2-oxobutoxy)-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl]acetate |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C20 H24 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5736 |
| logD: | 3.5736 |
| logSw: | -3.6572 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.256 |
| InChI Key: | ICTYKJOCFBMTGR-UHFFFAOYSA-N |