4,4,5,5-tetramethyl-2-(2,4,6-trimethoxyphenyl)-1,3,2-dioxaborolane

• ChemBase ID: 810242
• Molecular Formular: C15H23BO5
• Molecular Mass: 294.15112
• Monoisotopic Mass: 294.16385424
• SMILES: O1B(OC(C1(C)C)(C)C)c1c(cc(cc1OC)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1B1OC(C(O1)(C)C)(C)C)OC
• InChI: InChI=1S/C15H23BO5/c1-14(2)15(3,4)21-16(20-14)13-11(18-6)8-10(17-5)9-12(13)19-7/h8-9H,1-7H3
• InChIKey: LKEZAAIPHZMQDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5-tetramethyl-2-(2,4,6-trimethoxyphenyl)-1,3,2-dioxaborolane
• IUPAC Traditional name: 4,4,5,5-tetramethyl-2-(2,4,6-trimethoxyphenyl)-1,3,2-dioxaborolane
• Synonyms: 4,4,5,5-TETRAMETHYL-2-(2,4,6-TRIMETHOXYPHENYL)-1,3,2-DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1423
• LogD (pH = 7.4): 3.1423
• Log P: 3.1423
• Molar Refractivity: 75.1027 cm^3
• Polarizability: 31.56363 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%