Basic information
- CAS
116454-35-4- Standard SMILES
C/C=C/C(/C=C/C)C(C)=O- InChIKey
OPWMNTIQHYFJLR-YDFGWWAZSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
Names & identifiers
- Preferred name
- (E)-3-[(E)-prop-1-enyl]hex-4-en-2-one
- IUPAC
- (E)-3-[(E)-prop-1-enyl]hex-4-en-2-one
- English name
- 4-Hexen-2-one, 3-(1-propenyl)-, (E,E)- (9CI)
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
(E)-3-[(E)-prop-1-enyl]hex-4-en-2-one4-Hexen-2-one, 3-(1-propenyl)-, (E,E)- (9CI)116454-35-4
Database identifiers
- CAS
116454-35-4
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 199.9 · 199.9±9.0 °C(Predicted)
- Density
- 0.854 · 0.854±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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