2-(trimethylsilyl)propanenitrile

• ChemBase ID: 797728
• Molecular Formular: C6H13NSi
• Molecular Mass: 127.25962
• Monoisotopic Mass: 127.08172595
• SMILES: C(#N)C(C)[Si](C)(C)C
• Canonical SMILES: CC([Si](C)(C)C)C#N
• InChI: InChI=1S/C6H13NSi/c1-6(5-7)8(2,3)4/h6H,1-4H3
• InChIKey: WISPPBDNOQXVLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trimethylsilyl)propanenitrile
• IUPAC Traditional name: 2-(trimethylsilyl)propanenitrile
• Synonyms: 2-Trimethylsilanyl-propionitrile

Database IDs

• CAS Number: 18151-58-1

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.8663
• Log P: 1.8663
• Molar Refractivity: 31.9018 cm^3
• Polarizability: 14.554061 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8663

PROPERTIES

Product Information

• Purity: 97%