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

• ChemBase ID: 796935
• Molecular Formular: C17H26BNO3
• Molecular Mass: 303.20424
• Monoisotopic Mass: 303.2005741
• SMILES: n1c(cc(cc1)B1OC(C(O1)(C)C)(C)C)OCC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccnc(c1)OCC1CCCC1
• InChI: InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)14-9-10-19-15(11-14)20-12-13-7-5-6-8-13/h9-11,13H,5-8,12H2,1-4H3
• InChIKey: CNFZAFCZTTXZEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346708-01-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.5368967
• LogD (pH = 7.4): 4.5369
• Log P: 4.5369
• Molar Refractivity: 81.4769 cm^3
• Polarizability: 34.10323 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%