2-(2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

• ChemBase ID: 815358
• Molecular Formular: C15H21BO2
• Molecular Mass: 244.13704
• Monoisotopic Mass: 244.16346031
• SMILES: O1B(OC(C1(C)C)(C)C)c1c(cccc1)C1CC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccccc1C1CC1
• InChI: InChI=1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-8-6-5-7-12(13)11-9-10-11/h5-8,11H,9-10H2,1-4H3
• InChIKey: UBDGFSVRSANTJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(2-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database IDs

• CAS Number: 1362243-53-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5904
• LogD (pH = 7.4): 4.5904
• Log P: 4.5904
• Molar Refractivity: 68.1017 cm^3
• Polarizability: 28.733892 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%