2-[6-(2-ethoxyethyl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 297796
• Molecular Formular: C20H27BO3
• Molecular Mass: 326.23758
• Monoisotopic Mass: 326.20532512
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc2cc(ccc2c1)CCOCC
• Canonical SMILES: CCOCCc1ccc2c(c1)ccc(c2)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C20H27BO3/c1-6-22-12-11-15-7-8-17-14-18(10-9-16(17)13-15)21-23-19(2,3)20(4,5)24-21/h7-10,13-14H,6,11-12H2,1-5H3
• InChIKey: LJAABXSTGSOGHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-(2-ethoxyethyl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-[6-(2-ethoxyethyl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(6-n-Butoxy-2-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 6-n-Butoxynaphthalene-2-boronic acid pinacol ester; 4-氯-beta-苯乙烯基硼酸频哪醇酯

Database IDs

• MDL Number: MFCD16294497
• PubChem SID: 180683327
• PubChem CID: 73995235

CALCULATED PROPERTIES

• Molar Refractivity: 93.234 cm^3
• Polarizability: 39.544487 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2398
• LogD (pH = 7.4): 5.2398
• Log P: 5.2398

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%