(2-cyclohexylethenyl)boronic acid

• ChemBase ID: 795751
• Molecular Formular: C8H15BO2
• Molecular Mass: 154.0145
• Monoisotopic Mass: 154.11651012
• SMILES: B(O)(O)C=CC1CCCCC1
• Canonical SMILES: OB(C=CC1CCCCC1)O
• InChI: InChI=1S/C8H15BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8,10-11H,1-5H2
• InChIKey: FBRJOMMIILHLCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyclohexylethenyl)boronic acid
• IUPAC Traditional name: 2-cyclohexylethenylboronic acid
• Synonyms: (2-Cyclohexylvinyl)boronic acid

Database IDs

• CAS Number: 37490-33-8

CALCULATED PROPERTIES

• Acid pKa: 9.872374
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3215816
• LogD (pH = 7.4): 2.3201468
• Log P: 2.3216
• Molar Refractivity: 41.4354 cm^3
• Polarizability: 17.718325 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%