6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)furo[3,2-b]pyridine

• ChemBase ID: 44956
• Molecular Formular: C16H24BNO3Si
• Molecular Mass: 317.26316
• Monoisotopic Mass: 317.16185057
• SMILES: c1(cnc2c(c1)oc(c2)[Si](C)(C)C)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cnc2c(c1)oc(c2)[Si](C)(C)C
• InChI: InChI=1S/C16H24BNO3Si/c1-15(2)16(3,4)21-17(20-15)11-8-13-12(18-10-11)9-14(19-13)22(5,6)7/h8-10H,1-7H3
• InChIKey: IDKZKDBOSLDGQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)furo[3,2-b]pyridine
• IUPAC Traditional name: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)furo[3,2-b]pyridine
• Synonyms: 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)furo[3,2-b]pyridine; 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trimethylsilyl)furo[3,2-b]pyridine

Database IDs

• CAS Number: 1188926-86-4
• MDL Number: MFCD12922783
• PubChem SID: 162049719
• PubChem CID: 46737921

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7935877
• LogD (pH = 7.4): 4.793699
• Log P: 4.7937
• Molar Refractivity: 77.3422 cm^3
• Polarizability: 35.954105 Å^3
• Polar Surface Area: 44.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C16H24BNO3Si

DETAILS

Sigma Aldrich - ADE001161

Other Notes
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