4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-1-benzopyran-2-one
4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D060-0114 |
| Compound Name: | 4-methyl-3-(3-methylbutyl)-7-(pentyloxy)-2H-1-benzopyran-2-one |
| Molecular Weight: | 316.44 |
| Molecular Formula: | C20 H28 O3 |
| Smiles: | CCCCCOc1ccc2C(C)=C(CCC(C)C)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2545 |
| logD: | 6.2545 |
| logSw: | -5.3799 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.5778 |
| InChI Key: | ONGZXSKETIYJNF-UHFFFAOYSA-N |