tert-butyldimethyl{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}silane

• ChemBase ID: 142404
• Molecular Formular: C15H31BO3Si
• Molecular Mass: 298.30134
• Monoisotopic Mass: 298.21355178
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/CO[Si](C)(C)C(C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(OC/C=C/B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C15H31BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-11H,12H2,1-9H3
• InChIKey: LUURLZJMKOVITO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethyl{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}silane
• IUPAC Traditional name: tert-butyldimethyl{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy}silane
• Synonyms: (E)-2-[3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-propenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(1E)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-propenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; tert-Butyldimethyl[[(2E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy]silane; (E)-3-(tert-Butyldimethylsilyloxy)propene-1-yl-boronic acid pinacol ester; (E)-3-(叔丁基二甲基硅氧基)丙烯-1-基-硼酸频哪醇酯

Database IDs

• CAS Number: 114653-19-9
• MDL Number: MFCD15144803
• PubChem SID: 162236634
• PubChem CID: 10968526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7315
• LogD (pH = 7.4): 4.7315
• Log P: 4.7315
• Molar Refractivity: 77.0174 cm^3
• Polarizability: 34.380596 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 0.910 g/mL at 25 °C

Safety Information

• German water hazard class: 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C15H31BO3Si

DETAILS

Sigma Aldrich - 710210

Packaging
1, 5 g in glass bottle