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

• ChemBase ID: 800754
• Molecular Formular: C11H17BO3
• Molecular Mass: 208.06188
• Monoisotopic Mass: 208.1270748
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1occc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)Cc1ccco1
• InChI: InChI=1S/C11H17BO3/c1-10(2)11(3,4)15-12(14-10)8-9-6-5-7-13-9/h5-7H,8H2,1-4H3
• InChIKey: OZEWWWCNQGDOMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9945
• LogD (pH = 7.4): 2.9945
• Log P: 2.9945
• Molar Refractivity: 52.6914 cm^3
• Polarizability: 22.72178 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%