4-Ethoxypent-3-en-2-one
Basic information
- CAS
1540-24-5- Standard SMILES
CCOC(C)=CC(C)=O- InChIKey
QYEVFNRONKBUNY-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Overview
See also: 3-Penten-2-one, 4-ethoxy- (annotation moved to).
Names & identifiers
- Preferred name
- 4-Ethoxypent-3-en-2-one
- IUPAC
- 4-ethoxypent-3-en-2-one
- English name
- 4-ethoxypent-3-en-2-one
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
4-Ethoxypent-3-en-2-one1540-24-5EINECS 216-268-9(Z)-4-Ethoxypent-3-en-2-one2-ethoxy-2-penten-4-oneSCHEMBL11818474DTXSID20934893QYEVFNRONKBUNY-UHFFFAOYSA-NNS000483474-Ethoxy-3-penten-2-one
Database identifiers
- CAS
1540-24-5- PubChem CID
- 102141
- DTXSID
DTXSID20934893- EC Number
- 216-268-9
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 83 · 83-85 °C(Press: 22 Torr)
- Density
- 0.9468 g/cm³ · 0.9468 g/cm³
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Related reactions
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Compound notes
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