3-(trimethoxysilyl)propanenitrile

• ChemBase ID: 109034
• Molecular Formular: C6H13NO3Si
• Molecular Mass: 175.25782
• Monoisotopic Mass: 175.06646981
• SMILES: CO[Si](CCC#N)(OC)OC
• Canonical SMILES: CO[Si](CCC#N)(OC)OC
• InChI: InChI=1S/C6H13NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4,6H2,1-3H3
• InChIKey: KVUMYOWDFZAGPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethoxysilyl)propanenitrile
• IUPAC Traditional name: 3-(trimethoxysilyl)propanenitrile
• Synonyms: β-CYANOETHYLTRIMETHOXYSILANE

Database IDs

• CAS Number: 2526-62-7
• PubChem SID: 162096102
• PubChem CID: 75660

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.162
• LogD (pH = 7.4): 0.162
• Log P: 0.162
• Molar Refractivity: 36.3531 cm^3
• Polarizability: 16.731794 Å^3
• Polar Surface Area: 51.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209600

MP Biomedicals Rare Chemical collection