4-Butoxypent-3-en-2-one
Basic information
- CAS
3431-87-6- Standard SMILES
CCCCOC(C)=CC(C)=O- InChIKey
CYAODAPQSPXVJB-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 4-Butoxypent-3-en-2-one
- IUPAC
- 4-butoxypent-3-en-2-one
- English name
- 4-Butoxy-3-penten-2-one
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
3431-87-64-Butoxypent-3-en-2-one4-Butoxy-3-penten-2-oneDTXSID50339812
Database identifiers
- CAS
3431-87-6- PubChem CID
- 558941
- DTXSID
DTXSID50339812
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 231.316 · 231.316±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.898 · 0.898±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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