3-hexyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
3-hexyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4550 |
| Compound Name: | 3-hexyl-4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 328.45 |
| Molecular Formula: | C21 H28 O3 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCC=C(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.7587 |
| logD: | 6.7587 |
| logSw: | -5.7098 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.5778 |
| InChI Key: | FCSCXRGHPKHIBG-UHFFFAOYSA-N |