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

• ChemBase ID: 796382
• Molecular Formular: C16H24BNO3
• Molecular Mass: 289.17766
• Monoisotopic Mass: 289.18492403
• SMILES: n1c(cc(cc1)B1OC(C(O1)(C)C)(C)C)OC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccnc(c1)OC1CCCC1
• InChI: InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)12-9-10-18-14(11-12)19-13-7-5-6-8-13/h9-11,13H,5-8H2,1-4H3
• InChIKey: FBYBLWSHAHEVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346707-97-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.223197
• LogD (pH = 7.4): 4.2232
• Log P: 4.2232
• Molar Refractivity: 76.7461 cm^3
• Polarizability: 32.261116 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%