trimethyl[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane

• ChemBase ID: 814669
• Molecular Formular: C11H21BO2Si
• Molecular Mass: 224.17974
• Monoisotopic Mass: 224.14038684
• SMILES: [Si](C#CB1OC(C(O1)(C)C)(C)C)(C)(C)C
• Canonical SMILES: C[Si](C#CB1OC(C(O1)(C)C)(C)C)(C)C
• InChI: InChI=1S/C11H21BO2Si/c1-10(2)11(3,4)14-12(13-10)8-9-15(5,6)7/h1-7H3
• InChIKey: WIAMOTQUYWWPCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
• IUPAC Traditional name: trimethyl[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
• Synonyms: trimethyl((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)silane

Database IDs

• CAS Number: 159087-46-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3172
• LogD (pH = 7.4): 4.3172
• Log P: 4.3172
• Molar Refractivity: 52.2861 cm^3
• Polarizability: 25.464407 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%