[6-(oxan-2-yloxy)naphthalen-2-yl]boronic acid

• ChemBase ID: 810355
• Molecular Formular: C15H17BO4
• Molecular Mass: 272.10408
• Monoisotopic Mass: 272.12198942
• SMILES: B(O)(O)c1ccc2c(ccc(c2)OC2OCCCC2)c1
• Canonical SMILES: OB(c1ccc2c(c1)ccc(c2)OC1CCCCO1)O
• InChI: InChI=1S/C15H17BO4/c17-16(18)13-6-4-12-10-14(7-5-11(12)9-13)20-15-3-1-2-8-19-15/h4-7,9-10,15,17-18H,1-3,8H2
• InChIKey: KSYFSSXJHYNATB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(oxan-2-yloxy)naphthalen-2-yl]boronic acid
• IUPAC Traditional name: 6-(oxan-2-yloxy)naphthalen-2-ylboronic acid
• Synonyms: 6-(TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-NAPHTHYLBORONIC ACID

CALCULATED PROPERTIES

• Acid pKa: 8.706245
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.0841315
• LogD (pH = 7.4): 3.0635693
• Log P: 3.0844
• Molar Refractivity: 71.5504 cm^3
• Polarizability: 30.88969 Å^3
• Polar Surface Area: 58.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%