3-{[(tert-butyldimethylsilyl)oxy]methyl}-5-methoxypyridine

• ChemBase ID: 32462
• Molecular Formular: C13H23NO2Si
• Molecular Mass: 253.41272
• Monoisotopic Mass: 253.14980551
• SMILES: c1(cncc(c1)CO[Si](C(C)(C)C)(C)C)OC
• Canonical SMILES: COc1cncc(c1)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C13H23NO2Si/c1-13(2,3)17(5,6)16-10-11-7-12(15-4)9-14-8-11/h7-9H,10H2,1-6H3
• InChIKey: QZZNOAMEUXEYKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(tert-butyldimethylsilyl)oxy]methyl}-5-methoxypyridine
• IUPAC Traditional name: 3-{[(tert-butyldimethylsilyl)oxy]methyl}-5-methoxypyridine
• Synonyms: 3-((tert-Butyldimethylsilyloxy)methyl)-5-methoxypyridine; 3-((tert-Butyldimethylsilyloxy)methyl)-5-methoxypyridine

Database IDs

• CAS Number: 1045855-62-6
• MDL Number: MFCD11052850
• PubChem SID: 160995769
• PubChem CID: 45361745

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4791243
• LogD (pH = 7.4): 2.5097919
• Log P: 2.5102
• Molar Refractivity: 67.0283 cm^3
• Polarizability: 28.456251 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C13H23NO2Si

DETAILS

Sigma Aldrich - ADE000465

Other Notes
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