2-Octanoylfuran
Basic information
- CAS
5456-77-9- Standard SMILES
CCCCCCCC(=O)c1ccco1- InChIKey
OQMUCISCOICEGC-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Overview
1-(2-furanyl)-1-Octanone is an aromatic ketone.
Names & identifiers
- Preferred name
- 2-Octanoylfuran
- IUPAC
- 1-(furan-2-yl)octan-1-one
- English name
- 2-Octanoylfuran
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
2-Octanoylfuran1-(furan-2-yl)octan-1-one1-(2-Furanyl)-1-octanone5456-77-9Furan, 2-octanoyl1-(2-Furyl)-1-octanone2B5EMS3J3Z1-Octanone, 1-(2-furanyl)-NSC-21619NSC216192-OCTANOYL FURANUNII-2B5EMS3J3Z
Show more names
1-(uran-2-yl)octan-1-oneSCHEMBL4369180DTXSID10281424CHEBI:229406OQMUCISCOICEGC-UHFFFAOYSA-NNSC 21619AKOS010980842Q63398432
Database identifiers
- CAS
5456-77-9- PubChem CID
- 228593
- DTXSID
DTXSID10281424- ChEBI
CHEBI:229406- UNII
- 2B5EMS3J3Z
- Nikkaji
- J47.711G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 279.4 · 279.4±13.0 °C(Predicted)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- FDA UNII
- 2 B5EMS3J3Z · 2B5EMS3J3Z
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
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Related reactions
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Compound notes
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