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309915-48-8 molecular structure
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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 and InChIs

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

Cite this record

CBID:151632 http://www.chembase.cn/molecule-151632.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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)
CAS Number
309915-48-8
MDL Number
MFCD03701583
PubChem SID
24880426
162245783
PubChem CID
4186340

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
568171 external link Add to cart Please log in.
Data Source Data ID
PubChem 4186340 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0728  LogD (pH = 7.4) 2.0728 
Log P 2.0728  Molar Refractivity 108.5896 cm3
Polarizability 50.39491 Å3 Polar Surface Area 73.84 Å2
Rotatable Bonds 16  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
liquid expand Show data source
Boiling Point
135 °C/0.01 atm(lit.) expand Show data source
Flash Point
154.4 °F expand Show data source
68 °C expand Show data source
Density
1.303 g/mL at 25 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
99.99% trace metals basis expand Show data source
Grade
electronic grade expand Show data source
Linear Formula
Hf(OC(CH3)2CH2OCH3)4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 568171 external link
Packaging
10 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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