1-[dimethyl(propan-2-yl)silyl]-1H-imidazole

• ChemBase ID: 798380
• Molecular Formular: C8H16N2Si
• Molecular Mass: 168.31154
• Monoisotopic Mass: 168.10827505
• SMILES: n1(cncc1)[Si](C)(C)C(C)C
• Canonical SMILES: CC([Si](n1cncc1)(C)C)C
• InChI: InChI=1S/C8H16N2Si/c1-8(2)11(3,4)10-6-5-9-7-10/h5-8H,1-4H3
• InChIKey: OCUUDCWEKWOMFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[dimethyl(propan-2-yl)silyl]-1H-imidazole
• IUPAC Traditional name: 1-(isopropyldimethylsilyl)imidazole
• Synonyms: 1-(isopropyldimethylsilyl)imidazole

Database IDs

• CAS Number: 81452-04-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8119429
• LogD (pH = 7.4): 1.4595842
• Log P: 1.6116
• Molar Refractivity: 46.0756 cm^3
• Polarizability: 19.282217 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%