2,4(3H,5H)-Furandione, 3,5-dimethyl-
Basic information
- CAS
5460-81-1- Standard SMILES
CC1OC(=O)C(C)C1=O- InChIKey
JZLFAWGGYBKIQL-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- 2,4(3H,5H)-Furandione, 3,5-dimethyl-
- IUPAC
- 3,5-dimethyloxolane-2,4-dione
- English name
- 3,5-Dimethylfuran-2,4(3H,5H)-dione
- Molecular formula
- C6H8O3
- Molecular weight
- 128.13
Names & synonyms
2,4(3H,5H)-Furandione, 3,5-dimethyl-5460-81-1NSC-21368.alpha.,.gamma.-Dimethyltetronic acid3,5-dimethyl-furan-2,4-dione3,5-dimethyloxolane-2,4-dionealpha,gamma-Dimethyltetronic acidNSC213682,4-Dimethyltetronic acid7Z8B46FD5WSCHEMBL1743252DTXSID80281350
Show more names
α,γ-Dimethyltetronic acid3,5-Dimethylfuran-2,4(3H,5H)-dione3-Pentulosonic acid, 2,5-dideoxy-2-methyl-, γ-lactone
JZLFAWGGYBKIQL-UHFFFAOYSA-N2,5H)-Furandione, 3,5-dimethyl-Valeric acid, 4-hydroxy-2-methyl-3-oxo-, gamma-lactone3-Pentulosonic acid, 2,5-dideoxy-2-methyl-, gamma-lactone
Database identifiers
- CAS
5460-81-1- PubChem CID
- 228435
- DTXSID
DTXSID80281350- UNII
- 7Z8B46FD5W
- Nikkaji
- J100.364J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- FDA UNII
- 7 Z8B46FD5W · 7Z8B46FD5W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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