4-methyl-3-(3-methylbutyl)-7-[(prop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-methyl-3-(3-methylbutyl)-7-[(prop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
4-methyl-3-(3-methylbutyl)-7-[(prop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D060-0003 |
| Compound Name: | 4-methyl-3-(3-methylbutyl)-7-[(prop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 286.37 |
| Molecular Formula: | C18 H22 O3 |
| Smiles: | CC(C)CCC1=C(C)c2ccc(cc2OC1=O)OCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.8051 |
| logD: | 4.8051 |
| logSw: | -4.6059 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.5778 |
| InChI Key: | WMJPZSGKJNVMAB-UHFFFAOYSA-N |