ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate

• ChemBase ID: 815757
• Molecular Formular: C13H19BO5
• Molecular Mass: 266.09796
• Monoisotopic Mass: 266.13255411
• SMILES: o1c(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ccc(o1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H19BO5/c1-6-16-11(15)9-7-8-10(17-9)14-18-12(2,3)13(4,5)19-14/h7-8H,6H2,1-5H3
• InChIKey: UMMKKZJPSPIDGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
• IUPAC Traditional name: ethyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
• Synonyms: ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate

Database IDs

• CAS Number: 1073338-93-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2816
• LogD (pH = 7.4): 3.2816
• Log P: 3.2816
• Molar Refractivity: 64.1312 cm^3
• Polarizability: 27.181414 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%