dibutyl 2,2'-[(4-methyl-2-oxo-2H-1-benzopyran-5,7-diyl)bis(oxy)]diacetate
Chemical Structure Depiction of
dibutyl 2,2'-[(4-methyl-2-oxo-2H-1-benzopyran-5,7-diyl)bis(oxy)]diacetate
dibutyl 2,2'-[(4-methyl-2-oxo-2H-1-benzopyran-5,7-diyl)bis(oxy)]diacetate
Compound characteristics
| Compound ID: | Y040-6680 |
| Compound Name: | dibutyl 2,2'-[(4-methyl-2-oxo-2H-1-benzopyran-5,7-diyl)bis(oxy)]diacetate |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C22 H28 O8 |
| Smiles: | CCCCOC(COc1cc(c2C(C)=CC(=O)Oc2c1)OCC(=O)OCCCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2472 |
| logD: | 3.2472 |
| logSw: | -3.3879 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.636 |
| InChI Key: | VSQSQKBJHGMWIL-UHFFFAOYSA-N |