3-(dimethoxymethyl)-5-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase ID: 23749
• Molecular Formular: C13H19NO2Si
• Molecular Mass: 249.38096
• Monoisotopic Mass: 249.11850539
• SMILES: c1(cncc(c1)C#C[Si](C)(C)C)C(OC)OC
• Canonical SMILES: COC(c1cncc(c1)C#C[Si](C)(C)C)OC
• InChI: InChI=1S/C13H19NO2Si/c1-15-13(16-2)12-8-11(9-14-10-12)6-7-17(3,4)5/h8-10,13H,1-5H3
• InChIKey: OZASIYDGVNBWMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethoxymethyl)-5-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC Traditional name: 3-(dimethoxymethyl)-5-[2-(trimethylsilyl)ethynyl]pyridine
• Synonyms: 3-Dimethoxymethyl-5-trimethylsilanylethynyl-pyridine; 3-Dimethoxymethyl-5-trimethylsilanylethynyl-pyridine

Database IDs

• CAS Number: 879326-80-4
• MDL Number: MFCD08457777
• PubChem SID: 160987056
• PubChem CID: 24229186

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.645071
• LogD (pH = 7.4): 2.6496413
• Log P: 2.6497
• Molar Refractivity: 61.4859 cm^3
• Polarizability: 27.36172 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%; 98%
• Empirical Formula (Hill Notation): C13H19NO2Si

DETAILS

Sigma Aldrich - ADE000377

Other Notes
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