3-Acetyl-5,5-dimethylfuran-2(5H)-one
Basic information
- CAS
51716-57-5- Standard SMILES
CC(=O)C1=CC(C)(C)OC1=O- InChIKey
OKPQFKJZOWSOHX-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 3-Acetyl-5,5-dimethylfuran-2(5H)-one
- IUPAC
- 3-acetyl-5,5-dimethylfuran-2-one
Names & synonyms
51716-57-5NSC3054913-Acetyl-5,5-dimethylfuran-2(5H)-oneDTXSID80316651NSC-305491DS-0011872(5H)-FURANONE,3-ACETYL-5,5-DIMETHYL-
Database identifiers
- CAS
51716-57-5- PubChem CID
- 328056
- DTXSID
DTXSID80316651
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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