Basic information
- CAS
5663-95-6- Standard SMILES
CCCCCC#CC#N- InChIKey
QXXNZPGFAYCFIN-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- 2-Octynenitrile
- IUPAC
- oct-2-ynenitrile
Names & synonyms
2-OCTYNENITRILE5663-95-6DTXSID90205204RefChem:1063974DTXCID50127695oct-2-ynenitrileBRN 1751677Amylpropiolique nitrileAmylpropiolique nitrile [French]Amylpropiolnitriln-Amylpropiolnitril3-02-00-01465 (Beilstein Handbook Reference)
Show more names
SCHEMBL1344541
Database identifiers
- CAS
5663-95-6- PubChem CID
- 21871
- DTXSID
DTXSID90205204
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…