2-[2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 88154
• Molecular Formular: C15H21BO3
• Molecular Mass: 260.13644
• Monoisotopic Mass: 260.15837493
• SMILES: O1C(C(OB1/C=C/c1ccc(cc1)OC)(C)C)(C)C
• Canonical SMILES: COc1ccc(cc1)/C=C/B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H21BO3/c1-14(2)15(3,4)19-16(18-14)11-10-12-6-8-13(17-5)9-7-12/h6-11H,1-5H3
• InChIKey: VXSHTICWQKLRMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: Pinacol 2-(4-methoxyphenyl)-vinylboronate; 4-METHOXY-TRANS-BETA-STYRYLBORONIC ACID PINACOL ESTER; 2-[trans-2-(4-Methoxyphenyl)vinyl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane; 4-Methoxy-trans-beta-styrylboronic acid pinacol ester; 4-甲氧基-反-beta-苯乙烯基硼酸频哪醇酯

Database IDs

• CAS Number: 149777-83-3
• MDL Number: MFCD04038966
• PubChem SID: 162075183
• PubChem CID: 15419573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3831
• LogD (pH = 7.4): 4.3831
• Log P: 4.3831
• Molar Refractivity: 71.9528 cm^3
• Polarizability: 30.05777 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 98%