2-[(furan-3-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 800755
• Molecular Formular: C11H17BO3
• Molecular Mass: 208.06188
• Monoisotopic Mass: 208.1270748
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cocc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)Cc1cocc1
• InChI: InChI=1S/C11H17BO3/c1-10(2)11(3,4)15-12(14-10)7-9-5-6-13-8-9/h5-6,8H,7H2,1-4H3
• InChIKey: TVZAJLUYXPIECO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-3-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(furan-3-ylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(FURAN-3-YL)METHYL-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0403
• LogD (pH = 7.4): 3.0403
• Log P: 3.0403
• Molar Refractivity: 53.2275 cm^3
• Polarizability: 22.72142 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%