2-Butanoyl-5-methylfuran
Basic information
- CAS
90673-55-5- Standard SMILES
CCCC(=O)c1ccc(C)o1- InChIKey
IFHKZUYQKMDHIN-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 2-Butanoyl-5-methylfuran
- IUPAC
- 1-(5-methylfuran-2-yl)butan-1-one
Names & synonyms
1-(5-methylfuran-2-yl)butan-1-one2-Butanoyl-5-methylfuran90673-55-55-Methyl-2-butyrylfuranNSC80401SCHEMBL14472222DTXSID60292126IFHKZUYQKMDHIN-UHFFFAOYSA-NNSC-80401AKOS0109828331-(5-Methyl-2-furyl)-1-butanone #1-Butanone,1-(5-methyl-2-furanyl)-
Show more names
DS-002783Q63408822
Database identifiers
- CAS
90673-55-5- PubChem CID
- 255146
- DTXSID
DTXSID60292126- Nikkaji
- J45.624A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…