4-Pentenal, 2-ethyl-
Basic information
- CAS
5204-80-8- Standard SMILES
C=CCC(C=O)CC- InChIKey
UADJTDURPOSPRM-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 4-Pentenal, 2-ethyl-
- IUPAC
- 2-ethylpent-4-enal
- English name
- 2-Ethyl-4-pentenal
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
2-ETHYL-4-PENTENAL5204-80-84-Pentenal, 2-ethyl-2Ethyl4pentenalRefChem:100300UADJTDURPOSPRM-UHFFFAOYSA-N2-ethylpent-4-enal2-Ethyl-4-pentenal #SCHEMBL2163229SCHEMBL2163231DTXSID20966396Mirogabalin Impurity 52
Show more names
Mirogabalin Impurity 50
Database identifiers
- CAS
5204-80-8- PubChem CID
- 21264
- DTXSID
DTXSID20966396- Nikkaji
- J129.682E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.5
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aldehydes
Physicochemical properties
- Boiling point
- 137 · 137-138 °C
- Density
- 0.819 · 0.819±0.06 g/cm3(Predicted)
- LogP
- 1.825 · 1.825 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee 2-Pentenal.
Related reactions
1 records
Compound notes
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