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

• ChemBase ID: 812582
• Molecular Formular: C14H19BO2
• Molecular Mass: 230.11046
• Monoisotopic Mass: 230.14781025
• SMILES: c1cccc(c1C=C)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: C=Cc1ccccc1B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H19BO2/c1-6-11-9-7-8-10-12(11)15-16-13(2,3)14(4,5)17-15/h6-10H,1H2,2-5H3
• InChIKey: LMSISTSGLMQBGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(2-ethenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: TRANS-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)STYRENE

Database IDs

• CAS Number: 78782-27-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7969
• LogD (pH = 7.4): 4.7969
• Log P: 4.7969
• Molar Refractivity: 65.3994 cm^3
• Polarizability: 27.546965 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%