2-(2-methoxyethoxy)acetonitrile

• ChemBase ID: 285369
• Molecular Formular: C5H9NO2
• Molecular Mass: 115.13046
• Monoisotopic Mass: 115.06332853
• SMILES: N#CCOCCOC
• Canonical SMILES: COCCOCC#N
• InChI: InChI=1S/C5H9NO2/c1-7-4-5-8-3-2-6/h3-5H2,1H3
• InChIKey: KCHALGCHIHJRFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)acetonitrile
• IUPAC Traditional name: 2-(2-methoxyethoxy)acetonitrile
• Synonyms: 2-(2-methoxyethoxy)acetonitrile

Database IDs

• MDL Number: MFCD09927589
• PubChem SID: 180670900
• PubChem CID: 15077410

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3864939
• LogD (pH = 7.4): -0.3864939
• Log P: -0.3864939
• Molar Refractivity: 29.1199 cm^3
• Polarizability: 11.217458 Å^3
• Polar Surface Area: 42.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.812

Product Information

• Purity: 95%