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

• ChemBase ID: 291119
• Molecular Formular: C14H21BO4
• Molecular Mass: 264.12514
• Monoisotopic Mass: 264.15328955
• SMILES: CC1(C)C(C)(C)OB(c2cc(OC)ccc2OC)O1
• Canonical SMILES: COc1ccc(cc1B1OC(C(O1)(C)C)(C)C)OC
• InChI: InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)11-9-10(16-5)7-8-12(11)17-6/h7-9H,1-6H3
• InChIKey: XJCGLLQYWCVCSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(2,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(2,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 1073339-07-7
• MDL Number: MFCD12405521
• PubChem SID: 180676650
• PubChem CID: 53217102

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: 29.034475 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%