2-[2-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 810310
• Molecular Formular: C14H21BO3
• Molecular Mass: 248.12574
• Monoisotopic Mass: 248.15837493
• SMILES: O1B(OC(C1(C)C)(C)C)c1c(cccc1)COC
• Canonical SMILES: COCc1ccccc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-9-7-6-8-11(12)10-16-5/h6-9H,10H2,1-5H3
• InChIKey: UZPLVCBMNLIZLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[2-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(2-METHOXYMETHYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6434
• LogD (pH = 7.4): 3.6434
• Log P: 3.6434
• Molar Refractivity: 67.2802 cm^3
• Polarizability: 28.37092 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%