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

• ChemBase ID: 806354
• Molecular Formular: C15H21BO2
• Molecular Mass: 244.13704
• Monoisotopic Mass: 244.16346031
• SMILES: O1B(OC(C1(C)C)(C)C)c1cc(ccc1)C1CC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(c1)C1CC1
• InChI: InChI=1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-7-5-6-12(10-13)11-8-9-11/h5-7,10-11H,8-9H2,1-4H3
• InChIKey: VHNQNDFTCALSPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Traditional name: 2-(3-cyclopropylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Synonyms: 2-(3-CYCLOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

Database IDs

• CAS Number: 627526-56-1

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: 28.733118 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%