1-{[2-(dimethylsilyl)ethoxy]methyl}-1H-imidazole-5-carbaldehyde

• ChemBase ID: 802092
• Molecular Formular: C9H16N2O2Si
• Molecular Mass: 212.32104
• Monoisotopic Mass: 212.09810429
• SMILES: n1(cncc1C=O)COCC[SiH](C)C
• Canonical SMILES: O=Cc1cncn1COCC[SiH](C)C
• InChI: InChI=1S/C9H16N2O2Si/c1-14(2)4-3-13-8-11-7-10-5-9(11)6-12/h5-7,14H,3-4,8H2,1-2H3
• InChIKey: DTHHOWABENATPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(dimethylsilyl)ethoxy]methyl}-1H-imidazole-5-carbaldehyde
• IUPAC Traditional name: 3-{[2-(dimethylsilyl)ethoxy]methyl}imidazole-4-carbaldehyde
• Synonyms: 1-([2-(DIMETHYLSILYL)ETHOXY]METHYL)-1H-IMIDAZOLE-5-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.44638753
• LogD (pH = 7.4): -0.34207582
• Log P: -0.3405
• Molar Refractivity: 51.9055 cm^3
• Polarizability: 21.90093 Å^3
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%