2-(propan-2-yloxy)-3-(trimethylsilyl)pyridine

• ChemBase ID: 16203
• Molecular Formular: C11H19NOSi
• Molecular Mass: 209.36016
• Monoisotopic Mass: 209.12359077
• SMILES: c1(c(cccn1)[Si](C)(C)C)OC(C)C
• Canonical SMILES: CC(Oc1ncccc1[Si](C)(C)C)C
• InChI: InChI=1S/C11H19NOSi/c1-9(2)13-11-10(14(3,4)5)7-6-8-12-11/h6-9H,1-5H3
• InChIKey: NARJMUQSDREMTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)-3-(trimethylsilyl)pyridine
• IUPAC Traditional name: 2-isopropoxy-3-(trimethylsilyl)pyridine
• Synonyms: 2-Isopropoxy-3-trimethylsilanyl-pyridine; 2-Isopropoxy-3-trimethylsilanyl-pyridine

Database IDs

• CAS Number: 782479-89-4
• MDL Number: MFCD06659012
• PubChem SID: 160979510
• PubChem CID: 17998786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5196776
• LogD (pH = 7.4): 3.5207858
• Log P: 3.5208
• Molar Refractivity: 55.9088 cm^3
• Polarizability: 24.092297 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C11H19NOSi

DETAILS

Sigma Aldrich - ADE000306

Other Notes
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