5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-{2-[(trimethylsilyl)oxy]propan-2-yl}pyridine

• ChemBase ID: 293103
• Molecular Formular: C17H30BNO3Si
• Molecular Mass: 335.3215
• Monoisotopic Mass: 335.20880076
• SMILES: CC(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1)(O[Si](C)(C)C)C
• Canonical SMILES: C[Si](OC(c1ccc(cn1)B1OC(C(O1)(C)C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C17H30BNO3Si/c1-15(2,22-23(7,8)9)14-11-10-13(12-19-14)18-20-16(3,4)17(5,6)21-18/h10-12H,1-9H3
• InChIKey: GQSLZAFZAPLKEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-{2-[(trimethylsilyl)oxy]propan-2-yl}pyridine
• IUPAC Traditional name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-{2-[(trimethylsilyl)oxy]propan-2-yl}pyridine
• Synonyms: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(2-((trimethylsilyl)oxy)propan-2-yl)pyridine

Database IDs

• CAS Number: 1228014-10-5
• MDL Number: MFCD12198135
• PubChem SID: 180678634
• PubChem CID: 53398358

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.7785845
• LogD (pH = 7.4): 4.778896
• Log P: 4.7789
• Molar Refractivity: 85.183 cm^3
• Polarizability: 37.77008 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%