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

• ChemBase ID: 140038
• Molecular Formular: C14H27BO2Si
• Molecular Mass: 266.25948
• Monoisotopic Mass: 266.18733704
• SMILES: B1(OC(C(O1)(C)C)(C)C)C#C[Si](C)(C)C(C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(C#CB1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C14H27BO2Si/c1-12(2,3)18(8,9)11-10-15-16-13(4,5)14(6,7)17-15/h1-9H3
• InChIKey: LBGATPGTEQCHFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethyl[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
• IUPAC Traditional name: tert-butyldimethyl[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
• Synonyms: 2-[2-[(1,1-Dimethylethyl)dimethylsilyl]ethynyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-((tert-Butyldimethylsilanyl)ethynyl)-4,4,5,5-tetramethyl-(1,3,2)dioxaborolane; 2-((tert-Butyldimethylsilanyl)ethynyl) boronic acid pinacol ester; 2-((叔丁基二甲基硅烷基)乙炔基)-4,4,5,5-四甲基-(1,3,2)二氧杂硼烷; 2-((叔丁基二甲基硅烷基)乙炔基)硼酸频哪醇酯

Database IDs

• CAS Number: 1073355-02-8
• MDL Number: MFCD09265092
• PubChem SID: 24884862; 162234283
• PubChem CID: 16218191

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8285
• LogD (pH = 7.4): 4.8285
• Log P: 4.8285
• Molar Refractivity: 66.2393 cm^3
• Polarizability: 30.99433 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159-164 °C

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H27BO2Si

DETAILS

Sigma Aldrich - 676659

Packaging
1, 5 g in glass bottle