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

• ChemBase ID: 796791
• Molecular Formular: C18H28BNO3
• Molecular Mass: 317.23082
• Monoisotopic Mass: 317.21622416
• SMILES: n1c(cc(cc1)B1OC(C(O1)(C)C)(C)C)OCC1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccnc(c1)OCC1CCCCC1
• InChI: InChI=1S/C18H28BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-11-20-16(12-15)21-13-14-8-6-5-7-9-14/h10-12,14H,5-9,13H2,1-4H3
• InChIKey: NAQJTVPEOYNZQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346708-02-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9331965
• LogD (pH = 7.4): 4.9332
• Log P: 4.9332
• Molar Refractivity: 86.0779 cm^3
• Polarizability: 35.945698 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%