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15522-69-7 molecular structure
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5-({bis[(2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl)oxy]dysprosio}oxy)-2,2,6,6-tetramethylhept-4-en-3-one

ChemBase ID: 138090
Molecular Formular: C33H57DyO6
Molecular Mass: 712.30208
Monoisotopic Mass: 713.34468854
SMILES and InChIs

SMILES:
CC(/C(=C\C(=O)C(C)(C)C)/O[Dy](O/C(=C/C(=O)C(C)(C)C)/C(C)(C)C)O/C(=C/C(=O)C(C)(C)C)/C(C)(C)C)(C)C
Canonical SMILES:
O=C(C(C)(C)C)/C=C(\C(C)(C)C)/O[Dy](O/C(=C/C(=O)C(C)(C)C)/C(C)(C)C)O/C(=C/C(=O)C(C)(C)C)/C(C)(C)C
InChI:
InChI=1S/3C11H20O2.Dy/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3
InChIKey:
JZFGFESISFGKQO-UHFFFAOYSA-K

Cite this record

CBID:138090 http://www.chembase.cn/molecule-138090.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-({bis[(2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl)oxy]dysprosio}oxy)-2,2,6,6-tetramethylhept-4-en-3-one
IUPAC Traditional name
5-({bis[(2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl)oxy]dysprosio}oxy)-2,2,6,6-tetramethylhept-4-en-3-one
Synonyms
Dy(thd)3
Dysprosium tris(2,2,6,6-tetramethyl-3,5-heptanedionate)
Resolve-Al™ Dy
三(2,2,6,6-四甲基-3,5-庚二酮酸)镝
CAS Number
15522-69-7
EC Number
239-563-4
MDL Number
MFCD00000017
PubChem SID
24850003
162232348
PubChem CID
71310104

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
162736 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310104 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 10.7547  LogD (pH = 7.4) 10.7547 
Log P 10.7547  Molar Refractivity 163.563 cm3
Polarizability 69.18742 Å3 Polar Surface Area 78.9 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
182-185 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Linear Formula
Dy(OCC(CH3)3CHCOC(CH3)3)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 162736 external link
Legal Information
Resolve-Al is a trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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