Basic information
- CAS
5883-05-6- Standard SMILES
N#CCCC1(CCC#N)CCCC(CCC#N)(CCC#N)C1=O- InChIKey
CVIHOXZFBYQKBG-UHFFFAOYSA-N- Molecular formula
- C18H22N4O
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.17936134
Names & identifiers
- Preferred name
- 2-Oxo-1,1,3,3-cyclohexanetetrapropanenitrile
- IUPAC
- 3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile
Names & synonyms
1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-5883-05-6DTXSID60207558RefChem:1064032DTXCID101300492-Oxo-1,1,3,3-cyclohexanetetrapropanenitrile227-559-53,3',3'',3'''-(2-oxocyclohexane-1,1,3,3-tetrayl)tetrapropanenitrile2-Oxo-1,3,3-cyclohexanetetrapropionitrileWLN: L6VTJ B2CN B2CN F2CN F2CN1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-NSC 6942
Show more names
EINECS 227-559-5NSC 405528BRN 3063826ChemDiv2_0001732-Oxo-1,1,3,3-cyclohexanetetrapropionitrile2-Oxo-cyclohexane-1,1,3,3-tetrapropionitrileSCHEMBL3988074NSC6942
Database identifiers
- CAS
5883-05-6- PubChem CID
- 79989
- DTXSID
DTXSID60207558- EC Number
- 227-559-5
- Nikkaji
- J48.550K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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