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

• ChemBase ID: 245613
• Molecular Formular: C14H21BO2
• Molecular Mass: 232.12634
• Monoisotopic Mass: 232.16346031
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1c(ccc(c1)C)C
• Canonical SMILES: Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C14H21BO2/c1-10-7-8-11(2)12(9-10)15-16-13(3,4)14(5,6)17-15/h7-9H,1-6H3
• InChIKey: BOEXYCYPLLWKMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12405520
• PubChem SID: 164301523
• PubChem CID: 15906197

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8348
• LogD (pH = 7.4): 4.8348
• Log P: 4.8348
• Molar Refractivity: 65.7955 cm^3
• Polarizability: 27.547438 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.668

Product Information

• Purity: 95%