2-[(Z)-1,2-diphenylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 294999
• Molecular Formular: C20H23BO2
• Molecular Mass: 306.20642
• Monoisotopic Mass: 306.17911038
• SMILES: B1(OC(C(O1)(C)C)(C)C)/C(=C/c1ccccc1)/c1ccccc1
• Canonical SMILES: CC1(C)OB(OC1(C)C)/C(=C/c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C20H23BO2/c1-19(2)20(3,4)23-21(22-19)18(17-13-9-6-10-14-17)15-16-11-7-5-8-12-16/h5-15H,1-4H3/b18-15+
• InChIKey: HGZKORGQZNCVQC-OBGWFSINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(Z)-1,2-diphenylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[(Z)-1,2-diphenylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: cis-(1,2-Diphenylethenyl)boronic acid pinacol cyclic ester; cis-Stilbeneboronic acid pinacol ester; 顺-均二苯乙烯硼酸频哪酸酯

Database IDs

• CAS Number: 264144-59-4
• MDL Number: MFCD03788734
• Beilstein Number: 9269561
• PubChem SID: 180680530
• PubChem CID: 24208877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6147
• LogD (pH = 7.4): 5.6147
• Log P: 5.6147
• Molar Refractivity: 91.0793 cm^3
• Polarizability: 37.273743 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 92-94°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%