4-(methoxydimethylsilyl)butanenitrile

• ChemBase ID: 109056
• Molecular Formular: C7H15NOSi
• Molecular Mass: 157.2856
• Monoisotopic Mass: 157.09229064
• SMILES: CO[Si](C)(C)CCCC#N
• Canonical SMILES: N#CCCC[Si](OC)(C)C
• InChI: InChI=1S/C7H15NOSi/c1-9-10(2,3)7-5-4-6-8/h4-5,7H2,1-3H3
• InChIKey: XMFCIYUZZWZEHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxydimethylsilyl)butanenitrile
• IUPAC Traditional name: 4-(methoxydimethylsilyl)butanenitrile
• Synonyms: γ-CYANOPROPYLDIMETHYLMETHOXYSILANE

Database IDs

• CAS Number: 143203-47-8
• PubChem SID: 162094490
• PubChem CID: 2733755

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3471
• LogD (pH = 7.4): 1.3471
• Log P: 1.3471
• Molar Refractivity: 38.8777 cm^3
• Polarizability: 17.094646 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209648

MP Biomedicals Rare Chemical collection