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14284-06-1 molecular structure
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2,8-diethoxy-4,10-dimethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-cupraspiro[5.5]undeca-1,4,7,10-tetraene

ChemBase ID: 109404
Molecular Formular: C12H20CuO6
Molecular Mass: 323.8296
Monoisotopic Mass: 323.05558586
SMILES and InChIs

SMILES:
CCOC1=[O][Cu]2([O]=C(C)C1)[O]=C(C)CC(=[O]2)OCC
Canonical SMILES:
CCOC1=[O][Cu]2([O]=C(C1)C)[O]=C(C)CC(=[O]2)OCC
InChI:
InChI=1S/2C6H10O3.Cu/c2*1-3-9-6(8)4-5(2)7;/h2*3-4H2,1-2H3;
InChIKey:
AUBDNJOVKJMDLN-UHFFFAOYSA-N

Cite this record

CBID:109404 http://www.chembase.cn/molecule-109404.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,8-diethoxy-4,10-dimethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-cupraspiro[5.5]undeca-1,4,7,10-tetraene
IUPAC Traditional name
2,8-diethoxy-4,10-dimethyl-1$l^{3},5$l^{3}-dioxa-7$l^{3},11$l^{3}-dioxa-6-cupraspiro[5.5]undeca-1,4,7,10-tetraene
Synonyms
COPPER ETHYLACETOACETATE
CAS Number
14284-06-1
EC Number
238-181-5
PubChem SID
162094817
PubChem CID
428901

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210894 external link Add to cart Please log in.
Data Source Data ID
PubChem 428901 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 110.8012 cm3 Polar Surface Area 155.02 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:36/37/38-58 expand Show data source
Safety Statements
S:20-25-26-37/39-61 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05210894 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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