Basic information
- CAS
1559-45-1- Standard SMILES
CC1=CC(=O)C(C)(C)O1- InChIKey
VLOZQNBOJJFNCQ-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 3(2H)-Furanone, 2,2,5-trimethyl-
- IUPAC
- 2,2,5-trimethylfuran-3-one
Names & synonyms
1559-45-13(2H)-Furanone, 2,2,5-trimethyl-DTXSID40165985RefChem:269449DTXCID40884762,2,5-trimethyl-3(2H)-furanone2,2,5-trimethylfuran-3(2H)-one2,2,5-trimethylfuran-3-one2,2,5-trimethyl-2,3-dihydrofuran-3-one3(2H)-Furanone,2,2,5-trimethyl-SCHEMBL9134737VLOZQNBOJJFNCQ-UHFFFAOYSA-N
Show more names
CS-0091988
Database identifiers
- CAS
1559-45-1- PubChem CID
- 137080
- DTXSID
DTXSID40165985- Nikkaji
- J1.810.992A
Properties
Computed structural properties
- XLogP
- 1
- 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
111 records
Compound notes
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