Propanedinitrile, cyclododecylidene-
Basic information
- CAS
13166-11-5- Standard SMILES
N#CC(C#N)=C1CCCCCCCCCCC1- InChIKey
LWFJKMCHZSHQKG-UHFFFAOYSA-N- Molecular formula
- C15H22N2
- Average molar mass
- 230.35 g/mol
- Monoisotopic mass
- 230.17829871
Names & identifiers
- Preferred name
- Propanedinitrile, cyclododecylidene-
- IUPAC
- 2-cyclododecylidenepropanedinitrile
- English name
- Propanedinitrile, cyclododecylidene-
- Molecular formula
- C15H22N2
- Molecular weight
- 230.34858
Names & synonyms
Propanedinitrile, cyclododecylidene-cyclododecylidenemalononitrile13166-11-52-CYCLODODECYLIDENE-MALONONITRILECyclododecylidenepropanedinitrileDTXSID60399543AKOS024332313cyclododecylidenemethane-1,1-dicarbonitrileST50545569
Database identifiers
- CAS
13166-11-5- PubChem CID
- 4120955
- DTXSID
DTXSID60399543
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
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Compound notes
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