2,2-Dimethylhex-5-enal

Base Information

• Chemical Name: 2,2-Dimethylhex-5-enal
• CAS No.: 52278-99-6
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• DSSTox Substance ID: DTXSID80438100
• Nikkaji Number: J748.036I
• Wikidata: Q82253734
• Mol file: 52278-99-6.mol

Synonyms:2,2-Dimethylhex-5-enal;52278-99-6;5-Hexenal, 2,2-dimethyl-;2,2-dimethyl-5-hexenal;2,2-Dimethyl 5-hexenal;SCHEMBL11012628;DTXSID80438100;CCA27899;EN300-368104;F2147-6459

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

Chemical Property:

• Boiling Point: 156.7±19.0 °C(Predicted)
• PSA: 17.07000
• Density: 0.824±0.06 g/cm3(Predicted)
• LogP: 2.17770
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CCC=C)C=O