2,3-dimethyl-2-[(trimethylsilyl)oxy]butanenitrile

• ChemBase ID: 65908
• Molecular Formular: C9H19NOSi
• Molecular Mass: 185.33876
• Monoisotopic Mass: 185.12359077
• SMILES: O(C(C#N)(C)C(C)C)[Si](C)(C)C
• Canonical SMILES: N#CC(C(C)C)(O[Si](C)(C)C)C
• InChI: InChI=1S/C9H19NOSi/c1-8(2)9(3,7-10)11-12(4,5)6/h8H,1-6H3
• InChIKey: SFFRRJOBHYONKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-2-[(trimethylsilyl)oxy]butanenitrile
• IUPAC Traditional name: 2,3-dimethyl-2-[(trimethylsilyl)oxy]butanenitrile
• Synonyms: 2,3-Dimethyl-2-(trimethylsilyloxy)butanenitrile

Database IDs

• CAS Number: 883726-88-3
• MDL Number: MFCD16786524
• PubChem SID: 162031647
• PubChem CID: 62551093

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5608
• LogD (pH = 7.4): 2.5608
• Log P: 2.5608
• Molar Refractivity: 47.6539 cm^3
• Polarizability: 20.772526 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%