1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole

• ChemBase ID: 814188
• Molecular Formular: C10H18BN3O2
• Molecular Mass: 223.07982
• Monoisotopic Mass: 223.14920723
• SMILES: n1(nnc(c1B1OC(C(O1)(C)C)(C)C)C)C
• Canonical SMILES: Cc1nnn(c1B1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C10H18BN3O2/c1-7-8(14(6)13-12-7)11-15-9(2,3)10(4,5)16-11/h1-6H3
• InChIKey: CJXUJFWHQHUFPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole
• IUPAC Traditional name: 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3-triazole
• Synonyms: 1,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6531993
• LogD (pH = 7.4): 1.6532
• Log P: 1.6532
• Molar Refractivity: 66.8183 cm^3
• Polarizability: 23.483997 Å^3
• Polar Surface Area: 49.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%