(cyclooct-1-en-1-yl)boronic acid

• ChemBase ID: 812440
• Molecular Formular: C8H15BO2
• Molecular Mass: 154.0145
• Monoisotopic Mass: 154.11651012
• SMILES: B(O)(O)C1=CCCCCCC1
• Canonical SMILES: OB(C1=CCCCCCC1)O
• InChI: InChI=1S/C8H15BO2/c10-9(11)8-6-4-2-1-3-5-7-8/h6,10-11H,1-5,7H2
• InChIKey: XUXMHPTXULTCHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclooct-1-en-1-yl)boronic acid
• IUPAC Traditional name: cyclooct-1-en-1-ylboronic acid
• Synonyms: 1-CYCLOOCTENEBORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 9.784742
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7527776
• LogD (pH = 7.4): 1.7510227
• Log P: 1.7528
• Molar Refractivity: 42.3815 cm^3
• Polarizability: 17.718325 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%