(S)-5-methylfuran-2(5H)-one
Basic information
- CAS
92694-51-4- Standard SMILES
C[C@H]1C=CC(=O)O1- InChIKey
BGLUXFNVVSVEET-BYPYZUCNSA-N- Molecular formula
- C5H6O2
- Average molar mass
- 98.1 g/mol
- Monoisotopic mass
- 98.03677943
Overview
(S)-5-methylfuran-2(5H)-one is a beta-angelica lactone. It is an enantiomer of a (R)-5-methylfuran-2(5H)-one.
Names & identifiers
- Preferred name
- (S)-5-methylfuran-2(5H)-one
- IUPAC
- (2S)-2-methyl-2H-furan-5-one
Names & synonyms
(S)-5-methylfuran-2(5H)-one(5S)-5-methylfuran-2(5H)-oneCHEBI:36444RefChem:1051171(2S)-2-methyl-2H-furan-5-one(5S)-5-Methyl-2,5-dihydrofuran-2-oneZA9THM6FSR92694-51-4SCHEMBL7004946(S)-5-methyl-2(5H)-furanone(5S)-5-Methyl-2(5H)-furanoneQ27116836
Database identifiers
- CAS
92694-51-4- PubChem CID
- 9548740
- ChEBI
CHEBI:36444- UNII
- ZA9THM6FSR
- Nikkaji
- J432.703I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Related reactions
1 records
Compound notes
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