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

• ChemBase ID: 800759
• Molecular Formular: C12H19BO3
• Molecular Mass: 222.08846
• Monoisotopic Mass: 222.14272487
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H19BO3/c1-9-6-7-10(14-9)8-13-15-11(2,3)12(4,5)16-13/h6-7H,8H2,1-5H3
• InChIKey: VMWQOGHAYMHHBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.009
• LogD (pH = 7.4): 3.009
• Log P: 3.009
• Molar Refractivity: 57.8411 cm^3
• Polarizability: 24.48634 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%