5-methoxypentanenitrile

• ChemBase ID: 265707
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: N#CCCCCOC
• Canonical SMILES: COCCCCC#N
• InChI: InChI=1S/C6H11NO/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3
• InChIKey: VPPYODAEJXNXEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypentanenitrile
• IUPAC Traditional name: 5-methoxypentanenitrile
• Synonyms: 5-methoxypentanenitrile

Database IDs

• MDL Number: MFCD14654380
• PubChem SID: 164321617
• PubChem CID: 12468822

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6307242
• LogD (pH = 7.4): 0.6307242
• Log P: 0.6307242
• Molar Refractivity: 32.1318 cm^3
• Polarizability: 12.318524 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.078

Product Information

• Purity: 95%