2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]ethyl formate

• ChemBase ID: 298103
• Molecular Formular: C13H19BO5
• Molecular Mass: 266.09796
• Monoisotopic Mass: 266.13255411
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(o1)CCOC=O
• Canonical SMILES: O=COCCc1ccc(o1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H19BO5/c1-12(2)13(3,4)19-14(18-12)11-6-5-10(17-11)7-8-16-9-15/h5-6,9H,7-8H2,1-4H3
• InChIKey: OFMJLYCOPFGPLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]ethyl formate
• IUPAC Traditional name: 2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]ethyl formate
• Synonyms: Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate; 2-(Ethoxycarbonyl)furan-5-boronic acid pinacol ester; 2-(乙氧基羰基)呋喃-5-硼酸频哪酯

Database IDs

• CAS Number: 1073338-92-7
• PubChem SID: 180683634
• PubChem CID: 73995346

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.336
• LogD (pH = 7.4): 2.336
• Log P: 2.336
• Molar Refractivity: 63.6996 cm^3
• Polarizability: 27.197397 Å^3
• Polar Surface Area: 57.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%