Basic information
- CAS
20019-64-1- Standard SMILES
CC1(C)C=CC(=O)O1- InChIKey
YNKQMZRTPPVLLL-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Overview
5,5-Dimethyl-2(5H)-furanone is a butenolide.
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2(5H)-furanone
- IUPAC
- 5,5-dimethylfuran-2-one
- English name
- 2(5H)-Furanone,5,5-dimethy
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
5,5-Dimethyl-2(5H)-furanone2(5H)-Furanone, 5,5-dimethyl-20019-64-15,5-Dimethylfuran-2(5H)-one5,5-dimethylfuran-2-one4,4-Dimethyl-2-butenolide4,4-Dimethyl-2-buten-4-olide4,4-Dimethylbut-2-enolide5,5-Dimethylbut-3-enolideUNII-0HJB56V40L0HJB56V40L5,5-DIMETHYL-2-FURANONE
Show more names
2(5H)-Furanone,5,5-dimethy
4,4-Dimethylcrotonolactone5,5-dimethyl-2,5-dihydrofuran-2-oneDTXSID901738334,4-DIMETHYLBUT-2-EN-4-OLIDE2,2-DIMETHYL-5-OXO-2,5-DIHYDROFURAN4-HYDROXY-4-METHYL-2-PENTENOIC ACID LACTONE2-PENTENOIC ACID, 4-HYDROXY-4-METHYL-, .GAMMA.-LACTONERefChem:101037
Database identifiers
- CAS
20019-64-1- PubChem CID
- 29909
- DTXSID
DTXSID90173833- ChEBI
CHEBI:173379- UNII
- 0HJB56V40L
- Nikkaji
- J427.804F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 85 · 85-86.5 °C(Press: 12 Torr)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- LogP
- 0.247 · 0.247 (est)
- FDA UNII
- 0 HJB56V40L · 0HJB56V40L
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 5,5-Dimethyl-2(5H)-furanone is a butenolide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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