2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 811302
• Molecular Formular: C14H21BO4
• Molecular Mass: 264.12514
• Monoisotopic Mass: 264.15328955
• SMILES: CC1(C)OB(OC1(C)C)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-8-11(16-5)12(9-10)17-6/h7-9H,1-6H3
• InChIKey: QPWUFMRNTUHMJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 3,4-DIMETHOXYPHENYLBORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 365564-10-9

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.395
• LogD (pH = 7.4): 3.395
• Log P: 3.395
• Molar Refractivity: 68.6395 cm^3
• Polarizability: 29.0346 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%