8-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

• ChemBase ID: 298707
• Molecular Formular: C16H20BNO3
• Molecular Mass: 285.1459
• Monoisotopic Mass: 285.15362391
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(c2c1cccn2)OC
• Canonical SMILES: COc1ccc(c2c1nccc2)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C16H20BNO3/c1-15(2)16(3,4)21-17(20-15)12-8-9-13(19-5)14-11(12)7-6-10-18-14/h6-10H,1-5H3
• InChIKey: UJPLJBDGXPKCDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• IUPAC Traditional name: 8-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• Synonyms: 8-Methoxyquinoline-5-boronic acid pinacol ester; 8-甲氧基喹啉-5-硼酸频哪酯

Database IDs

• MDL Number: MFCD20527214
• PubChem SID: 180684238
• PubChem CID: 71422855

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7370915
• LogD (pH = 7.4): 3.7371
• Log P: 3.7371
• Molar Refractivity: 76.0976 cm^3
• Polarizability: 33.160725 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%