5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propyl-2H-1-benzopyran-2-one
5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-8211 |
| Compound Name: | 5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C19 H24 O4 |
| Smiles: | CCCC1=CC(=O)Oc2cc(C)cc(c12)OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6149 |
| logD: | 4.6149 |
| logSw: | -4.6734 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.478 |
| InChI Key: | AKTUMLFKDPZXGJ-UHFFFAOYSA-N |