1,5-Cyclododecadienecarbonitrile, trimethyl-
Basic information
- CAS
71735-85-8- Standard SMILES
C/C1=C\C[C@H](C)/C=C(\C#N)CCCCC[C@H]1C- InChIKey
NLRVPCRWKGMNRN-NSGDYXDZSA-N- Molecular formula
- C16H25N
- Average molar mass
- 231.38 g/mol
- Monoisotopic mass
- 231.1986998
Names & identifiers
- Preferred name
- 1,5-Cyclododecadienecarbonitrile, trimethyl-
- IUPAC
- (1Z,3S,5E,7R)-3,6,7-trimethylcyclododeca-1,5-diene-1-carbonitrile
Names & synonyms
Cyanotrimethylcyclododeca-1,5-diene1,5-Cyclododecadienecarbonitrile, trimethyl-RefChem:41715571735-85-8
Database identifiers
- CAS
71735-85-8- PubChem CID
- 6450397
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Cyclododecadienecarbonitrile, trimethyl-: INACTIVE
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Compound notes
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