bis(propan-2-yl) [2-(trimethylsilyl)ethynyl]boronate

• ChemBase ID: 87555
• Molecular Formular: C11H23BO2Si
• Molecular Mass: 226.19562
• Monoisotopic Mass: 226.15603691
• SMILES: [Si](C)(C#CB(OC(C)C)OC(C)C)(C)C
• Canonical SMILES: CC(OB(OC(C)C)C#C[Si](C)(C)C)C
• InChI: InChI=1S/C11H23BO2Si/c1-10(2)13-12(14-11(3)4)8-9-15(5,6)7/h10-11H,1-7H3
• InChIKey: SOBCQQSJDCHZOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yl) [2-(trimethylsilyl)ethynyl]boronate
• IUPAC Traditional name: diisopropyl 2-(trimethylsilyl)ethynylboronate
• Synonyms: 2-(Trimethylsilyl)acetylene-1-boronic acid, diisopropyl ester

Database IDs

• MDL Number: MFCD08741443
• PubChem SID: 162074595
• PubChem CID: 44119143

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0236
• LogD (pH = 7.4): 5.0236
• Log P: 5.0236
• Molar Refractivity: 54.4759 cm^3
• Polarizability: 26.195545 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false