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

• ChemBase ID: 151632
• Molecular Formular: C20H44HfO8
• Molecular Mass: 591.04856
• Monoisotopic Mass: 592.25016837
• SMILES: CC(C)(COC)O[Hf](OC(C)(C)COC)(OC(C)(C)COC)OC(C)(C)COC
• Canonical SMILES: COCC(O[Hf](OC(COC)(C)C)(OC(COC)(C)C)OC(COC)(C)C)(C)C
• InChI: InChI=1S/4C5H11O2.Hf/c4*1-5(2,6)4-7-3;/h4*4H2,1-3H3;/q4*-1;+4
• InChIKey: OZCISEDHTVUZIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-bis[(1-methoxy-2-methylpropan-2-yl)oxy]-4,4,8,8-tetramethyl-2,5,7,10-tetraoxa-6-hafnaundecane
• IUPAC Traditional name: 6,6-bis[(1-methoxy-2-methylpropan-2-yl)oxy]-4,4,8,8-tetramethyl-2,5,7,10-tetraoxa-6-hafnaundecane
• Synonyms: Tetrakis(1-methoxy-2-methyl-2-propoxy)hafnium(IV); 四(1-甲氧基-2-甲基-2-丙氧基)铪(IV)

Database IDs

• CAS Number: 309915-48-8
• MDL Number: MFCD03701583
• PubChem SID: 162245783; 24880426
• PubChem CID: 4186340

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.0728
• LogD (pH = 7.4): 2.0728
• Log P: 2.0728
• Molar Refractivity: 108.5896 cm^3
• Polarizability: 50.39491 Å^3
• Polar Surface Area: 73.84 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 135 °C/0.01 atm(lit.)
• Flash Point: 154.4 °F; 68 °C
• Density: 1.303 g/mL at 25 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: 99.99% trace metals basis
• Grade: electronic grade
• Linear Formula: Hf(OC(CH3)2CH2OCH3)4

DETAILS

Sigma Aldrich - 568171

Packaging
10 g in ampule