6-[(1-methoxy-2-methylpropan-2-yl)oxy]-4,4,8,8-tetramethyl-2,5,7,10-tetraoxa-6-bismaundecane

• ChemBase ID: 303831
• Molecular Formular: C15H33BiO6
• Molecular Mass: 518.39932
• Monoisotopic Mass: 518.20811178
• SMILES: CC(C)(COC)O[Bi](OC(C)(C)COC)OC(C)(C)COC
• Canonical SMILES: COCC(O[Bi](OC(COC)(C)C)OC(COC)(C)C)(C)C
• InChI: InChI=1S/3C5H11O2.Bi/c3*1-5(2,6)4-7-3;/h3*4H2,1-3H3;/q3*-1;+3
• InChIKey: CUYORGNTEMJARP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(1-methoxy-2-methylpropan-2-yl)oxy]-4,4,8,8-tetramethyl-2,5,7,10-tetraoxa-6-bismaundecane
• IUPAC Traditional name: 6-[(1-methoxy-2-methylpropan-2-yl)oxy]-4,4,8,8-tetramethyl-2,5,7,10-tetraoxa-6-bismaundecane
• Synonyms: Tris(1-methoxy-2-methyl-2-propoxy)bismuth; 三(1-甲氧基-2-甲基-2-丙氧基)铋

Database IDs

• MDL Number: MFCD11113030

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7046
• LogD (pH = 7.4): 1.7046
• Log P: 1.7046
• Molar Refractivity: 81.4422 cm^3
• Polarizability: 40.34757 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline, Packaged under argon
• Melting Point: 70°C

Safety Information

• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.99% (metals basis)