(2E)-2,3-Dimethylnon-2-enenitrile
Basic information
- CAS
53153-67-6- Standard SMILES
CCCCCC/C(C)=C(\C)C#N- InChIKey
FCYCBANDFCFMCL-ZHACJKMWSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
- Monoisotopic mass
- 165.15174961
Names & identifiers
- Preferred name
- (2E)-2,3-Dimethylnon-2-enenitrile
- IUPAC
- (E)-2,3-dimethylnon-2-enenitrile
Names & synonyms
SCHEMBL972916(2E)-2,3-DIMETHYLNON-2-ENENITRILE
Database identifiers
- CAS
53153-67-6- PubChem CID
- 6504396
- Nikkaji
- J295.901A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
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Compound notes
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