4-(2-methoxyethoxy)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 796337
• Molecular Formular: C14H22BNO4
• Molecular Mass: 279.13978
• Monoisotopic Mass: 279.16418859
• SMILES: n1cc(c(cc1)OCCOC)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: COCCOc1ccncc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H22BNO4/c1-13(2)14(3,4)20-15(19-13)11-10-16-7-6-12(11)18-9-8-17-5/h6-7,10H,8-9H2,1-5H3
• InChIKey: COYSHKOFJGGCRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethoxy)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 4-(2-methoxyethoxy)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 4-(2-Methoxyethoxy)-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine

Database IDs

• CAS Number: 1350636-48-4

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9457628
• LogD (pH = 7.4): 2.1670477
• Log P: 2.171
• Molar Refractivity: 71.0629 cm^3
• Polarizability: 30.001913 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%