4-(2-methoxyethoxy)butanenitrile

• ChemBase ID: 262329
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: N#CCCCOCCOC
• Canonical SMILES: COCCOCCCC#N
• InChI: InChI=1S/C7H13NO2/c1-9-6-7-10-5-3-2-4-8/h2-3,5-7H2,1H3
• InChIKey: MLSZUYZVLRJQHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethoxy)butanenitrile
• IUPAC Traditional name: 4-(2-methoxyethoxy)butanenitrile
• Synonyms: 4-(2-methoxyethoxy)butanenitrile

Database IDs

• MDL Number: MFCD09948280
• PubChem SID: 164318239
• PubChem CID: 24708642

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.13918005
• LogD (pH = 7.4): 0.13918005
• Log P: 0.13918005
• Molar Refractivity: 38.5743 cm^3
• Polarizability: 14.872867 Å^3
• Polar Surface Area: 42.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.125

Product Information

• Purity: 95%