2,4-dimethoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

• ChemBase ID: 292007
• Molecular Formular: C15H21BO5
• Molecular Mass: 292.13524
• Monoisotopic Mass: 292.14820417
• SMILES: O=Cc1c(B2OC(C)(C)C(C)(C)O2)cc(OC)cc1OC
• Canonical SMILES: COc1cc(OC)c(c(c1)B1OC(C(O1)(C)C)(C)C)C=O
• InChI: InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)12-7-10(18-5)8-13(19-6)11(12)9-17/h7-9H,1-6H3
• InChIKey: OQGHEZWNSIGSIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• IUPAC Traditional name: 2,4-dimethoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• Synonyms: 2,4-Dimethoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Database IDs

• CAS Number: 1265360-45-9
• MDL Number: MFCD22192538
• PubChem SID: 180677538
• PubChem CID: 58292662

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0705
• LogD (pH = 7.4): 3.0705
• Log P: 3.0705
• Molar Refractivity: 75.2235 cm^3
• Polarizability: 30.94344 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%