5-[(5-bromofuran-2-yl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-[(5-bromofuran-2-yl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione
5-[(5-bromofuran-2-yl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | 3553-1824 |
| Compound Name: | 5-[(5-bromofuran-2-yl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 343.17 |
| Molecular Formula: | C14 H15 Br O5 |
| Smiles: | CCCCC1(C)OC(C(=Cc2ccc(o2)[Br])C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8222 |
| logD: | 3.8222 |
| logSw: | -3.9733 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.929 |
| InChI Key: | BAUXFQCGLRBXKA-UHFFFAOYSA-N |