Basic information
- CAS
50598-50-0- Standard SMILES
CC1=CC(C)(C)OC1=O- InChIKey
OAVLYQLCBORARJ-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 3,5,5-Trimethyl-2(5H)-furanone
- IUPAC
- 3,5,5-trimethylfuran-2-one
Names & synonyms
3,5,5-TRIMETHYL-2(5H)-FURANONE50598-50-0DQP7Q0T53QDTXSID90198642RefChem:1065851DTXCID501211333,5,5-trimethylfuran-2-one3,5,5-trimethylfuran-2(5H)-oneUNII-DQP7Q0T53Q2,4,4-Trimethyl-2-butenolide2(5H)-Furanone, 3,5,5-trimethyl-5-trimethyl-2(5h)-furanone
Show more names
SCHEMBL32323013,5,5-Trimethyl-2(5H)-furanone #Q27276544
Database identifiers
- CAS
50598-50-0- PubChem CID
- 39738
- DTXSID
DTXSID90198642- UNII
- DQP7Q0T53Q
- Nikkaji
- J530.793G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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