5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde

• ChemBase ID: 292002
• Molecular Formular: C11H15BO4
• Molecular Mass: 222.0454
• Monoisotopic Mass: 222.10633936
• SMILES: O=Cc1ccc(B2OC(C)(C)C(C)(C)O2)o1
• Canonical SMILES: O=Cc1ccc(o1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H15BO4/c1-10(2)11(3,4)16-12(15-10)9-6-5-8(7-13)14-9/h5-7H,1-4H3
• InChIKey: VSQZZPPWTRWPTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde
• IUPAC Traditional name: 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde
• Synonyms: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde

Database IDs

• CAS Number: 273731-82-1
• MDL Number: MFCD16295105
• PubChem SID: 180677533
• PubChem CID: 53217094

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.467
• LogD (pH = 7.4): 2.467
• Log P: 2.467
• Molar Refractivity: 53.9413 cm^3
• Polarizability: 22.797483 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%