2-(cyclopropylmethoxy)-3-(trimethylsilyl)pyridine

• ChemBase ID: 16204
• Molecular Formular: C12H19NOSi
• Molecular Mass: 221.37086
• Monoisotopic Mass: 221.12359077
• SMILES: c1(c(cccn1)[Si](C)(C)C)OCC1CC1
• Canonical SMILES: C[Si](c1cccnc1OCC1CC1)(C)C
• InChI: InChI=1S/C12H19NOSi/c1-15(2,3)11-5-4-8-13-12(11)14-9-10-6-7-10/h4-5,8,10H,6-7,9H2,1-3H3
• InChIKey: SWMZBIJARDLLKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)-3-(trimethylsilyl)pyridine
• IUPAC Traditional name: 2-(cyclopropylmethoxy)-3-(trimethylsilyl)pyridine
• Synonyms: 2-Cyclopropylmethoxy-3-trimethylsilanyl-pyridine; 2-Cyclopropylmethoxy-3-trimethylsilanyl-pyridine

Database IDs

• CAS Number: 782479-90-7
• MDL Number: MFCD06659013
• PubChem SID: 160979511
• PubChem CID: 17998787

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.473903
• LogD (pH = 7.4): 3.475085
• Log P: 3.4751
• Molar Refractivity: 58.6834 cm^3
• Polarizability: 25.204094 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C12H19NOSi

DETAILS

Sigma Aldrich - ADE000307

Other Notes
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