4-Hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3(2H)-one
Basic information
- CAS
51994-16-2- Standard SMILES
CCCC(O)C1(C)OC(C)=C(O)C1=O- InChIKey
NOYLNCIBDODDPI-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 4-Hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3(2H)-one
- IUPAC
- 4-hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3-one
- English name
- 4-hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3(2H)-one
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
51994-16-24-Hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3(2H)-oneEINECS 257-591-5SCHEMBL11625082DTXSID40966318NOYLNCIBDODDPI-UHFFFAOYSA-NDB-295320NS000591904-Hydroxy-2-(1-hydroxybutyl )-2,5-dimethylfuran-3(2h)-one3(2H)-Furanone, 4-hydroxy-2-(1-hydroxybutyl)-2,5-dimethyl-
Database identifiers
- CAS
51994-16-2- PubChem CID
- 103579
- DTXSID
DTXSID40966318- EC Number
- 257-591-5
- Nikkaji
- J279.417I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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