2-(2,3-dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 302608
• Molecular Formular: C15H21BO2
• Molecular Mass: 244.13704
• Monoisotopic Mass: 244.16346031
• SMILES: B1(OC(C(O1)(C)C)(C)C)C1Cc2ccccc2C1
• Canonical SMILES: CC1(C)OB(OC1(C)C)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-9-11-7-5-6-8-12(11)10-13/h5-8,13H,9-10H2,1-4H3
• InChIKey: YRTKSYXHFWUPAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-Indanylboronic acid pinacol ester; 2-茚满基硼酸 频哪醇 酯

Database IDs

• CAS Number: 608534-44-7
• MDL Number: MFCD03788726

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5139
• LogD (pH = 7.4): 4.5139
• Log P: 4.5139
• Molar Refractivity: 68.0579 cm^3
• Polarizability: 28.674177 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.5040

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%