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

• ChemBase ID: 297794
• Molecular Formular: C12H25BO3Si
• Molecular Mass: 256.2216
• Monoisotopic Mass: 256.16660159
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C=C/CO[Si](C)(C)C
• Canonical SMILES: C[Si](OC/C=C/B1OC(C(O1)(C)C)(C)C)(C)C
• InChI: InChI=1S/C12H25BO3Si/c1-11(2)12(3,4)16-13(15-11)9-8-10-14-17(5,6)7/h8-9H,10H2,1-7H3/b9-8+
• InChIKey: QNVCVEHGYIBMLB-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl({[(2E)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy})silane
• IUPAC Traditional name: trimethyl({[(2E)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-yl]oxy})silane
• Synonyms: trans-3-Trimethylsiloxy-1-propenylboronic acid pinacol ester; 反-3-(三甲基硅氧烷)-1-丙烯基硼酸频哪醇酯

Database IDs

• MDL Number: MFCD12547729
• PubChem SID: 180683325
• PubChem CID: 10858080

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.0033
• LogD (pH = 7.4): 4.0033
• Log P: 4.0033
• Molar Refractivity: 63.2952 cm^3
• Polarizability: 28.85388 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%