5-Butyl-2(3H)-furanone
Basic information
- CAS
31450-61-0- Standard SMILES
CCCCC1=CCC(=O)O1- InChIKey
QTLGKYQQIZFPIE-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 5-Butyl-2(3H)-furanone
- IUPAC
- 5-butyl-3H-furan-2-one
Names & synonyms
5-Butyl-2(3H)-furanone2(3H)-Furanone, 5-butyl-31450-61-0RefChem:10727525-butylfuran-2(3H)-oneBRN 43785515-butyl-3H-furan-2-oneDTXSID209534685-BUTYLDIHYDRO-2-FURANONE
Database identifiers
- CAS
31450-61-0、34003-77-5- PubChem CID
- 36654
- DTXSID
DTXSID20953468- Nikkaji
- J2.977.613J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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