4-(tert-butyldimethylsilyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

• ChemBase ID: 801419
• Molecular Formular: C16H29BN2O2Si
• Molecular Mass: 320.31016
• Monoisotopic Mass: 320.20913511
• SMILES: CC1(C)OB(OC1(C)C)c1cnncc1[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cnncc1[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C16H29BN2O2Si/c1-14(2,3)22(8,9)13-11-19-18-10-12(13)17-20-15(4,5)16(6,7)21-17/h10-11H,1-9H3
• InChIKey: LSFUVIGGBFBMLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tert-butyldimethylsilyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• IUPAC Traditional name: 4-(tert-butyldimethylsilyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• Synonyms: 5-(TERT-BUTYLDIMETHYLSILYL)PYRIDAZINE-4-BORONIC ACID, PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.353896
• LogD (pH = 7.4): 3.3539
• Log P: 3.3539
• Molar Refractivity: 83.4363 cm^3
• Polarizability: 36.2003 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%