copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)

C22H44CuO4+4 — CID 5033021

IUPACcopper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
SMILES[Cu].[H]/[O+]=C(/C/C(=[O+]/[H])C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]/[H])C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C11H20O2.Cu/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7H2,1-6H3;/p+4
InChIKeyLJNKLCWPWAPYME-UHFFFAOYSA-R
MW436.14 g/mol
LogP5.11
Rot. Bonds4

About copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)

copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium) (PubChem CID 5033021) has the molecular formula C22H44CuO4+4 and a molecular weight of 436.14 g/mol. Its IUPAC name is copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium).

Molecular Properties

Compound Namecopper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
PubChem CID5033021
Molecular FormulaC22H44CuO4+4
Molecular Weight436.14 g/mol
Exact Mass435.25
IUPAC Namecopper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
SMILES[Cu].[H]/[O+]=C(/C/C(=[O+]/[H])C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]/[H])C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C11H20O2.Cu/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7H2,1-6H3;/p+4
InChIKeyLJNKLCWPWAPYME-UHFFFAOYSA-R
XLogP5.11
TPSA85.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.14
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium) with MolForge

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Launch Full Analysis

Related Compounds

tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium);yttrium
CID 50911554
scandium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 3569331
samarium;tris((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)
CID 50909582
bis((1-tert-butyl-5-methyl-3-oxoniumylidenehexylidene)oxidanium);copper
CID 5030631
chromium;tris((1,1,1-trifluoro-4-oxoniumylidenepentan-2-ylidene)oxidanium)
CID 50909558
λ1-thallane;4-oxoniumylidenepentan-2-ylideneoxidanium
CID 50909714
oxovanadium;bis(2,2,6,6-tetramethylheptane-3,5-dione)
CID 88830247
dioxouranium;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 5022932
dioxomolybdenum;bis(4-oxoniumylidenepentan-2-ylideneoxidanium)
CID 50911194
[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;2-methylpropan-2-ol;tantalum
CID 58943021
bis([(E)-1-hydroxy-1-methoxy-4,4-dimethylpent-1-en-3-ylidene]oxidanium);bis(propan-2-ol);titanium
CID 59155345
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007

Frequently Asked Questions

What is the IUPAC name of copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)?
The IUPAC name of copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium) (CID 5033021) is copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium).
What is the SMILES notation for copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)?
The canonical SMILES for copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium) is [Cu].[H]/[O+]=C(/C/C(=[O+]/[H])C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C/C(=[O+]/[H])C(C)(C)C)C(C)(C)C.
What is the InChIKey of copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)?
The InChIKey is LJNKLCWPWAPYME-UHFFFAOYSA-R. The full InChI is InChI=1S/2C11H20O2.Cu/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7H2,1-6H3;/p+4.
What are the key properties of copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium)?
copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium) has a molecular weight of 436.14 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((2,2,6,6-tetramethyl-5-oxoniumylideneheptan-3-ylidene)oxidanium) is sourced from PubChem (CID 5033021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).