2,2-Dimethylhex-5-enenitrile

Base Information

• Chemical Name: 2,2-Dimethylhex-5-enenitrile
• CAS No.: 84173-95-5
• Molecular Formula: C8H13N
• Molecular Weight: 123.198
• DSSTox Substance ID: DTXSID90517773
• Nikkaji Number: J2.927.097J
• Wikidata: Q82379948
• Mol file: 84173-95-5.mol

Synonyms:2,2-Dimethylhex-5-enenitrile;84173-95-5;starbld0034294;SCHEMBL21138744;FMYANDVTIGLEES-UHFFFAOYSA-;DTXSID90517773;AKOS022633048;F2147-6452;InChI=1/C8H13N/c1-4-5-6-8(2,3)7-9/h4H,1,5-6H2,2-3H3

Chemical Property of 2,2-Dimethylhex-5-enenitrile

Chemical Property:

• PSA: 23.79000
• LogP: 2.50238
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 123.104799419
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CCC=C)C#N