3-(dimethoxymethyl)-5-methoxy-4-(trimethylsilyl)pyridine

• ChemBase ID: 32512
• Molecular Formular: C12H21NO3Si
• Molecular Mass: 255.38554
• Monoisotopic Mass: 255.12907007
• SMILES: c1(cncc(c1[Si](C)(C)C)C(OC)OC)OC
• Canonical SMILES: COC(c1cncc(c1[Si](C)(C)C)OC)OC
• InChI: InChI=1S/C12H21NO3Si/c1-14-10-8-13-7-9(12(15-2)16-3)11(10)17(4,5)6/h7-8,12H,1-6H3
• InChIKey: GDXMJVFGSOEQDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethoxymethyl)-5-methoxy-4-(trimethylsilyl)pyridine
• IUPAC Traditional name: 3-(dimethoxymethyl)-5-methoxy-4-(trimethylsilyl)pyridine
• Synonyms: 3-(Dimethoxymethyl)-5-methoxy-4-(trimethylsilyl)-pyridine; 3-(Dimethoxymethyl)-5-methoxy-4-(trimethylsilyl)pyridine; 3-(Dimethoxymethyl)-5-methoxy-4-(trimethylsilyl)pyridine

Database IDs

• CAS Number: 1138443-91-0
• MDL Number: MFCD11857658
• PubChem SID: 160995819
• PubChem CID: 46736757

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9646425
• LogD (pH = 7.4): 1.9821709
• Log P: 1.9824
• Molar Refractivity: 63.7761 cm^3
• Polarizability: 27.315752 Å^3
• Polar Surface Area: 40.58 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H21NO3Si

DETAILS

Sigma Aldrich - ADE000521

Other Notes
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