Basic information
- CAS
69155-29-9- Standard SMILES
CC1=C(C)CC(C#N)(C#N)C(C#N)(C#N)C1- InChIKey
CKESBCLFVFLERD-UHFFFAOYSA-N- Molecular formula
- C12H10N4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.09054634
Names & identifiers
- Preferred name
- 1,1,2,2-Cyclohex-4-enetetracarbonitrile, 4,5-dimethyl-
- IUPAC
- 4,5-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
Names & synonyms
1,1,2,2-CYCLOHEX-4-ENETETRACARBONITRILE, 4,5-DIMETHYL-BRN 261886769155-29-91,2-Dimethyl-4,4,5,5-cyclohex-1-enetetracarbonitrile4,5-Dimethyl-1,1,2,2-cyclohex-4-enetetracarbonitrileDTXSID702192084-09-00-03795 (Beilstein Handbook Reference)RefChem:213134DTXCID501416994,5-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrileNSC6591674,5-Dimethyl-4-cyclohexene-1,1,2,2-tetracarbonitrile
Show more names
CHEMBL1990976NSC-659167NCI60_020833doi:10.14272/CKESBCLFVFLERD-UHFFFAOYSA-N.1
Database identifiers
- CAS
69155-29-9- PubChem CID
- 50316
- DTXSID
DTXSID70219208- ChEMBL
CHEMBL1990976- Nikkaji
- J77.861C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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