2-(benzyloxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

• ChemBase ID: 297805
• Molecular Formular: C20H23BO4
• Molecular Mass: 338.20522
• Monoisotopic Mass: 338.16893962
• SMILES: C(c1ccccc1)Oc1c(cc(cc1)B1OC(C(O1)(C)C)(C)C)C=O
• Canonical SMILES: O=Cc1cc(ccc1OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C20H23BO4/c1-19(2)20(3,4)25-21(24-19)17-10-11-18(16(12-17)13-22)23-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
• InChIKey: WCYUTUPOLUMDFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• IUPAC Traditional name: 2-(benzyloxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
• Synonyms: 2-Benzyloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde; 4-Benzyloxy-3-formylbenzeneboronic acid pinacol ester; 4-苄氧基-3-甲酰基硼酸频哪醇酯

Database IDs

• MDL Number: MFCD16294499
• PubChem SID: 180683336
• PubChem CID: 71306513

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.0998
• LogD (pH = 7.4): 5.0998
• Log P: 5.0998
• Molar Refractivity: 93.3729 cm^3
• Polarizability: 38.00463 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• TSCA Listed: 否