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

• ChemBase ID: 296607
• Molecular Formular: C18H31BO3Si
• Molecular Mass: 334.33344
• Monoisotopic Mass: 334.21355178
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCCc1ccccc1O[Si](C)(C)C
• Canonical SMILES: C[Si](Oc1ccccc1CCCB1OC(C(O1)(C)C)(C)C)(C)C
• InChI: InChI=1S/C18H31BO3Si/c1-17(2)18(3,4)22-19(21-17)14-10-12-15-11-8-9-13-16(15)20-23(5,6)7/h8-9,11,13H,10,12,14H2,1-7H3
• InChIKey: WVIXWRBQCZVWHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]phenoxy)silane
• IUPAC Traditional name: trimethyl(2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]phenoxy)silane
• Synonyms: 4,4,5,5-Tetramethyl-2-[3-(2-trimethylsiloxyphenyl)propyl]-1,3,2-dioxaborolane; 3-(2-Trimethylsiloxyphenyl)-1-propylboronic acid pinacol ester; 3-(2-三甲基硅氧苯基)-1-丙基硼酸频哪醇酯

Database IDs

• MDL Number: MFCD12546185
• PubChem SID: 180682138
• PubChem CID: 73995112

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.8538
• LogD (pH = 7.4): 5.8538
• Log P: 5.8538
• Molar Refractivity: 88.0229 cm^3
• Polarizability: 38.606903 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: 1.4799

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%