TL;DR: 2,2-Dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione (CAS 109610-93-7) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione
Also Known As: Maybridge1_007587, 2,2-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione, isopropylidene p-nitrobenzalmalonate, 2,2-dimethyl-5-[(5-methyl-2-furyl)methylene]-1,3-dioxane-4,6-dione, J1.985.731J
| Molecular Formula | C12H12O5 |
| Molecular Weight | 236.06847 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.06847 Da |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
| SMILES | CC1=CC=C(O1)C=C2C(=O)OC(OC2=O)(C)C |
| InChIKey | GHGSQHBSHYQLED-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2-Dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione is 109610-93-7.
The molecular formula of 2,2-Dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione is C12H12O5.
The molecular weight of 2,2-Dimethyl-5-[(5-methylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione is 236.06847 g/mol.
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