silicon(4+) ion tetrakis(2-ethylhexanoate)

• ChemBase ID: 303808
• Molecular Formular: C32H64O8Si
• Molecular Mass: 604.93126
• Monoisotopic Mass: 604.43704554
• SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[SiH4+4]
• Canonical SMILES: CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.[SiH4+4]
• InChI: InChI=1S/4C8H16O2.Si/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);/q;;;;+4/p-4
• InChIKey: HAOBKKXGGNJWBI-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: silicon(4+) ion tetrakis(2-ethylhexanoate)
• IUPAC Traditional name: silicon(4+) ion tetrakis(2-ethylhexanoate)
• Synonyms: 2-Ethylhexanoic acid tetraanhydride with silicic acid; Silicon(IV) 2-ethylhexanoate; 2-乙基己酸硅(IV)

Database IDs

• CAS Number: 67939-81-5
• MDL Number: MFCD00269842

CALCULATED PROPERTIES

• Acid pKa: 5.144522
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2845745
• LogD (pH = 7.4): 0.563084
• Log P: 2.7984512
• Molar Refractivity: 51.0862 cm^3
• Polarizability: 15.86637 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); X
• UN Number: UN1170
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-63
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS08
• GHS Hazard statements: H225-H361
• GHS Precautionary statements: P210-P280H

Product Information

• Purity: nominally 75% in ethanol