1-(2-methoxyethyl)cyclobutane-1-carbonitrile

• ChemBase ID: 239128
• Molecular Formular: C8H13NO
• Molecular Mass: 139.19492
• Monoisotopic Mass: 139.09971404
• SMILES: N#CC1(CCC1)CCOC
• Canonical SMILES: COCCC1(CCC1)C#N
• InChI: InChI=1S/C8H13NO/c1-10-6-5-8(7-9)3-2-4-8/h2-6H2,1H3
• InChIKey: GUXSMGBQNJMDSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)cyclobutane-1-carbonitrile
• IUPAC Traditional name: 1-(2-methoxyethyl)cyclobutane-1-carbonitrile
• Synonyms: 1-(2-methoxyethyl)cyclobutane-1-carbonitrile

Database IDs

• MDL Number: MFCD21197098
• PubChem SID: 164295038
• PubChem CID: 65378706

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2659988
• LogD (pH = 7.4): 1.2659988
• Log P: 1.2659988
• Molar Refractivity: 39.4051 cm^3
• Polarizability: 15.271429 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.914

Product Information

• Purity: 95%