methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate

• ChemBase ID: 800776
• Molecular Formular: C12H17BO5
• Molecular Mass: 252.07138
• Monoisotopic Mass: 252.11690404
• SMILES: CC1(C)OB(OC1(C)C)c1cc(oc1)C(=O)OC
• Canonical SMILES: COC(=O)c1occ(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H17BO5/c1-11(2)12(3,4)18-13(17-11)8-6-9(16-7-8)10(14)15-5/h6-7H,1-5H3
• InChIKey: VKLPVFKOLDUFLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
• IUPAC Traditional name: methyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
• Synonyms: 2-(METHOXYCARBONYL)FURAN-4-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9964
• LogD (pH = 7.4): 2.9964
• Log P: 2.9964
• Molar Refractivity: 60.1293 cm^3
• Polarizability: 25.34777 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%