4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloro-3-(dimethoxymethyl)pyridine

• ChemBase ID: 44885
• Molecular Formular: C15H26ClNO3Si
• Molecular Mass: 331.91034
• Monoisotopic Mass: 331.13704791
• SMILES: c1cnc(c(c1CO[Si](C(C)(C)C)(C)C)C(OC)OC)Cl
• Canonical SMILES: COC(c1c(ccnc1Cl)CO[Si](C(C)(C)C)(C)C)OC
• InChI: InChI=1S/C15H26ClNO3Si/c1-15(2,3)21(6,7)20-10-11-8-9-17-13(16)12(11)14(18-4)19-5/h8-9,14H,10H2,1-7H3
• InChIKey: JITGZOPYNOGRBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloro-3-(dimethoxymethyl)pyridine
• IUPAC Traditional name: 4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloro-3-(dimethoxymethyl)pyridine
• Synonyms: 4-((tert-Butyldimethylsilyloxy)methyl)-2-chloro-3-(dimethoxymethyl)pyridine; 4-((tert-Butyldimethylsilyloxy)methyl)-2-chloro-3-(dimethoxymethyl)pyridine

Database IDs

• MDL Number: MFCD12922742
• PubChem SID: 162049648
• PubChem CID: 46737866

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5673952
• LogD (pH = 7.4): 3.5674
• Log P: 3.5674
• Molar Refractivity: 83.7794 cm^3
• Polarizability: 34.801014 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C15H26ClNO3Si

DETAILS

Sigma Aldrich - ADE000676

Other Notes
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