2-cyclohexyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

• ChemBase ID: 804835
• Molecular Formular: C17H26BNO2
• Molecular Mass: 287.20484
• Monoisotopic Mass: 287.20565948
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)C1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)C1CCCCC1
• InChI: InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)15-12-8-11-14(19-15)13-9-6-5-7-10-13/h8,11-13H,5-7,9-10H2,1-4H3
• InChIKey: YPMYNVSTIDZIFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• IUPAC Traditional name: 2-cyclohexyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Synonyms: 6-(CYCLOHEXYL)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.332952
• LogD (pH = 7.4): 5.333197
• Log P: 5.3332
• Molar Refractivity: 79.6634 cm^3
• Polarizability: 33.357685 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%