1-(2-methoxyethyl)cyclopentane-1-carbonitrile

• ChemBase ID: 239122
• Molecular Formular: C9H15NO
• Molecular Mass: 153.2215
• Monoisotopic Mass: 153.11536411
• SMILES: N#CC1(CCOC)CCCC1
• Canonical SMILES: COCCC1(CCCC1)C#N
• InChI: InChI=1S/C9H15NO/c1-11-7-6-9(8-10)4-2-3-5-9/h2-7H2,1H3
• InChIKey: QTZUPULLQCGHQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21002233
• PubChem SID: 164295032
• PubChem CID: 12402570

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7105676
• LogD (pH = 7.4): 1.7105676
• Log P: 1.7105676
• Molar Refractivity: 44.0061 cm^3
• Polarizability: 17.110949 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.473

Product Information

• Purity: 95%