2-[2-(4-tert-butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 296391
• Molecular Formular: C18H29BO2
• Molecular Mass: 288.23266
• Monoisotopic Mass: 288.22606057
• SMILES: B1(OC(C(O1)(C)C)(C)C)CCc1ccc(cc1)C(C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)CCc1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C18H29BO2/c1-16(2,3)15-10-8-14(9-11-15)12-13-19-20-17(4,5)18(6,7)21-19/h8-11H,12-13H2,1-7H3
• InChIKey: MWFMSBIXSIIMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-tert-butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[2-(4-tert-butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-[2-(4-tert-Butylphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-tert-Butylphenyl)ethylboronic acid pinacol ester; 2-(4-叔丁苯基)乙烷基硼酸频哪酯

Database IDs

• MDL Number: MFCD09953477
• PubChem SID: 180681922
• PubChem CID: 46739059

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.8796
• LogD (pH = 7.4): 5.8796
• Log P: 5.8796
• Molar Refractivity: 83.981 cm^3
• Polarizability: 34.947937 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%