Propionaldehyde dicrotyl acetal
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Basic information
- CAS
5749-78-0- Standard SMILES
C/C=C/COC(CC)OC/C=C/C- InChIKey
IGJKAEWELWCXNL-NSLJXJERSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- Propionaldehyde dicrotyl acetal
- IUPAC
- (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene
- English name
- Propanal bis(2-butenyl)acetal
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
Propionaldehyde, dicrotyl acetalPropionaldehyde dicrotyl acetal5749-78-02-Butene, 1,1'-(propylidenebis(oxy))bis-RefChem:374880Propionaldehyde, di-2-butenyl acetate (7CI,8CI)2-Butene, 1,1'-(propylidenebis(oxy))bis-(9CI)Propanal bis(2-butenyl)acetalDTXSID501031889Propionaldehyde, di-2-butenyl acetate2-Butene, 1-[1-(2-buten-1-yloxy)propoxy]-
Database identifiers
- CAS
5749-78-0- PubChem CID
- 6437580
- DTXSID
DTXSID501031889- Nikkaji
- J35.360D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 258.24 °C · 258.24°C (rough estimate)
- Density
- 0.9574 · 0.9574 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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