6-{[(tert-butyldimethylsilyl)oxy]methyl}-2,3-dimethoxypyridine

• ChemBase ID: 32510
• Molecular Formular: C14H25NO3Si
• Molecular Mass: 283.4387
• Monoisotopic Mass: 283.1603702
• SMILES: c1(c(nc(cc1)CO[Si](C(C)(C)C)(C)C)OC)OC
• Canonical SMILES: COc1nc(ccc1OC)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H25NO3Si/c1-14(2,3)19(6,7)18-10-11-8-9-12(16-4)13(15-11)17-5/h8-9H,10H2,1-7H3
• InChIKey: ANUDVRIMTVJPLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{[(tert-butyldimethylsilyl)oxy]methyl}-2,3-dimethoxypyridine
• IUPAC Traditional name: 6-{[(tert-butyldimethylsilyl)oxy]methyl}-2,3-dimethoxypyridine
• Synonyms: 6-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine; 6-((tert-Butyldimethylsilyloxy)methyl)-2,3-dimethoxypyridine

Database IDs

• CAS Number: 1138443-87-4
• MDL Number: MFCD11857656
• PubChem SID: 160995817
• PubChem CID: 46736755

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1063566
• LogD (pH = 7.4): 3.1063995
• Log P: 3.1064
• Molar Refractivity: 73.2828 cm^3
• Polarizability: 30.986578 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H25NO3Si

DETAILS

Sigma Aldrich - ADE000518

Other Notes
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