2,6-dimethyl-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine

• ChemBase ID: 804496
• Molecular Formular: C19H28BNO4
• Molecular Mass: 345.24092
• Monoisotopic Mass: 345.21113878
• SMILES: C(=O)(N1CC(OC(C1)C)C)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CC1OC(C)CN(C1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C19H28BNO4/c1-13-11-21(12-14(2)23-13)17(22)15-7-9-16(10-8-15)20-24-18(3,4)19(5,6)25-20/h7-10,13-14H,11-12H2,1-6H3
• InChIKey: UGNPEZDQOQYCQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine
• Synonyms: (4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)(2,6-DIMETHYLMORPHOLINO)METHANONE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5281
• LogD (pH = 7.4): 3.5281
• Log P: 3.5281
• Molar Refractivity: 92.497 cm^3
• Polarizability: 37.844547 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%