bis(copper(1+));bis(2-ethylhexanoate)

C16H30Cu2O4 — CID 21116994

IUPACbis(copper(1+));bis(2-ethylhexanoate)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cu+].[Cu+]
InChIInChI=1S/2C8H16O2.2Cu/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;/q;;2*+1/p-2
InChIKeyYYACIIYHJXWXJE-UHFFFAOYSA-L
MW413.50 g/mol
LogP1.90
Rot. Bonds10

About bis(copper(1+));bis(2-ethylhexanoate)

bis(copper(1+));bis(2-ethylhexanoate) (PubChem CID 21116994) has the molecular formula C16H30Cu2O4 and a molecular weight of 413.50 g/mol. Its IUPAC name is bis(copper(1+));bis(2-ethylhexanoate).

Molecular Properties

Compound Namebis(copper(1+));bis(2-ethylhexanoate)
PubChem CID21116994
Molecular FormulaC16H30Cu2O4
Molecular Weight413.50 g/mol
Exact Mass412.07
IUPAC Namebis(copper(1+));bis(2-ethylhexanoate)
SMILESCCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cu+].[Cu+]
InChIInChI=1S/2C8H16O2.2Cu/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;/q;;2*+1/p-2
InChIKeyYYACIIYHJXWXJE-UHFFFAOYSA-L
XLogP1.90
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tetrakis(2-ethylhexanoate);thorium(4+)
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2-ethylhexanoate;tin(2+)
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CID 173230651
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bis(2-ethylhexanoate);oxygen(2-);bis(zirconium(2+));dihydrate
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2-ethylhexanoate;bis(nickel(2+));acetate
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Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));bis(2-ethylhexanoate)?
The IUPAC name of bis(copper(1+));bis(2-ethylhexanoate) (CID 21116994) is bis(copper(1+));bis(2-ethylhexanoate).
What is the SMILES notation for bis(copper(1+));bis(2-ethylhexanoate)?
The canonical SMILES for bis(copper(1+));bis(2-ethylhexanoate) is CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));bis(2-ethylhexanoate)?
The InChIKey is YYACIIYHJXWXJE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H16O2.2Cu/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;/q;;2*+1/p-2.
What are the key properties of bis(copper(1+));bis(2-ethylhexanoate)?
bis(copper(1+));bis(2-ethylhexanoate) has a molecular weight of 413.50 g/mol, XLogP of 1.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));bis(2-ethylhexanoate) is sourced from PubChem (CID 21116994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).