Acetonitrile, 2-(1-ethoxyethoxy)-2-propenyl-
Basic information
- CAS
63884-99-1- Standard SMILES
C=CCC(C#N)OC(C)OCC- InChIKey
BZXGDVWJHHQIML-UHFFFAOYSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- Acetonitrile, 2-(1-ethoxyethoxy)-2-propenyl-
- IUPAC
- 2-(1-ethoxyethoxy)pent-4-enenitrile
- English name
- 2-(1-ethoxyethoxy)pent-4-enenitrile
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
63884-99-1ACETONITRILE, 2-(1-ETHOXYETHOXY)-2-PROPENYL-RefChem:10758882-(1-ethoxyethoxy)pent-4-enenitrileUSAF A-106371-Ethoxy-1-(1-cyano-2-butenyloxy)ethaneEthane, 1-ethoxy-1-(1-cyano-2-butenyl-oxy)-DTXSID30980705DB-3124434-Pentenenitrile, 2-(1-ethoxyethoxy)-2-(1-Ethoxyethoxy)-2-(1-propenyl)acetonitrile
Database identifiers
- CAS
63884-99-1- PubChem CID
- 44984
- DTXSID
DTXSID30980705
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 231.026 · 231.026±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.945 · 0.945±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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