1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-
Basic information
- CAS
3695-97-4- Standard SMILES
CC(CCC(C)=C(C#N)C#N)=C(C#N)C#N- InChIKey
NRSBGAZEEFLSFW-UHFFFAOYSA-N- Molecular formula
- C12H10N4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.09054634
Names & identifiers
- Preferred name
- 1,5-Hexadiene-1,1,6,6-tetracarbonitrile, 2,5-dimethyl-
- IUPAC
- 2,5-dimethylhexa-1,5-diene-1,1,6,6-tetracarbonitrile
Names & synonyms
F 2394BRN 20965651,5-HEXADIENE-1,1,6,6-TETRACARBONITRILE, 2,5-DIMETHYL-3695-97-41,1,6,6-Tetracyano-2,5-dimethyl-hexadien-(1,5)2,5-Dimethyl-1,5-hexadiene-1,1,6,6-tetracarbonitrileDTXSID70190447RefChem:221401DTXCID801129382,5-dimethylhexa-1,5-diene-1,1,6,6-tetracarbonitrile
Database identifiers
- CAS
3695-97-4- PubChem CID
- 19422
- DTXSID
DTXSID70190447
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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