9-methoxy-9-borabicyclo[3.3.1]nonane

• ChemBase ID: 293110
• Molecular Formular: C9H17BO
• Molecular Mass: 152.04168
• Monoisotopic Mass: 152.13724556
• SMILES: COB1C2CCCC1CCC2
• Canonical SMILES: COB1C2CCCC1CCC2
• InChI: InChI=1S/C9H17BO/c1-11-10-8-4-2-5-9(10)7-3-6-8/h8-9H,2-7H2,1H3
• InChIKey: UNGDGQYONLTNJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methoxy-9-borabicyclo[3.3.1]nonane
• IUPAC Traditional name: 9-methoxy-9-borabicyclo[3.3.1]nonane
• Synonyms: 9-Methoxy-9-borabicyclo[3.3.1]nonane

Database IDs

• CAS Number: 38050-71-4
• MDL Number: MFCD00074759
• PubChem SID: 180678641
• PubChem CID: 544964

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2665
• LogD (pH = 7.4): 3.2665
• Log P: 3.2665
• Molar Refractivity: 41.5043 cm^3
• Polarizability: 18.543383 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%