5-Methoxy-4,4-dimethyl-3-oxopentanenitrile

Base Information

• Chemical Name: 5-Methoxy-4,4-dimethyl-3-oxopentanenitrile
• CAS No.: 90087-79-9
• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.197
• DSSTox Substance ID: DTXSID50447562
• Wikidata: Q82266433
• Mol file: 90087-79-9.mol

Synonyms:5-methoxy-4,4-dimethyl-3-oxopentanenitrile;90087-79-9;5-methoxy-4,4-dimethyl-3-oxo-pentanenitrile;SCHEMBL1015369;DTXSID50447562;KILZYFYJGJZVIQ-UHFFFAOYSA-N;((1-(methoxymethyl)-1-methylethyl)carbonyl)acetonitrile

Chemical Property of 5-Methoxy-4,4-dimethyl-3-oxopentanenitrile

Chemical Property:

• Boiling Point: 109-112 °C(Press: 1.3 Torr)
• PSA: 50.09000
• Density: 0.985±0.06 g/cm3(Predicted)
• LogP: 1.14178
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(COC)C(=O)CC#N