3-benzyl-5-(3,3-dimethyl-2-oxobutoxy)-4,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-5-(3,3-dimethyl-2-oxobutoxy)-4,7-dimethyl-2H-1-benzopyran-2-one
3-benzyl-5-(3,3-dimethyl-2-oxobutoxy)-4,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1462 |
| Compound Name: | 3-benzyl-5-(3,3-dimethyl-2-oxobutoxy)-4,7-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C24 H26 O4 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)cc(c12)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6986 |
| logD: | 5.6986 |
| logSw: | -5.5918 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.721 |
| InChI Key: | KSJVAFBNSCPSMT-UHFFFAOYSA-N |