copper bis(2,2-dimethylbutanoate)

C12H22CuO4 — CID 158983078

IUPACcopper bis(2,2-dimethylbutanoate)
SMILESCCC(C)(C)C(=O)[O-].CCC(C)(C)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C6H12O2.Cu/c2*1-4-6(2,3)5(7)8;/h2*4H2,1-3H3,(H,7,8);/q;;+2/p-2
InChIKeyJPFYFMOIGVYMNU-UHFFFAOYSA-L
MW293.85 g/mol
LogP0.34
Rot. Bonds4

About copper bis(2,2-dimethylbutanoate)

copper bis(2,2-dimethylbutanoate) (PubChem CID 158983078) has the molecular formula C12H22CuO4 and a molecular weight of 293.85 g/mol. Its IUPAC name is copper bis(2,2-dimethylbutanoate).

Molecular Properties

Compound Namecopper bis(2,2-dimethylbutanoate)
PubChem CID158983078
Molecular FormulaC12H22CuO4
Molecular Weight293.85 g/mol
Exact Mass293.08
IUPAC Namecopper bis(2,2-dimethylbutanoate)
SMILESCCC(C)(C)C(=O)[O-].CCC(C)(C)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C6H12O2.Cu/c2*1-4-6(2,3)5(7)8;/h2*4H2,1-3H3,(H,7,8);/q;;+2/p-2
InChIKeyJPFYFMOIGVYMNU-UHFFFAOYSA-L
XLogP0.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.85
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

carbanylium;2,2-dimethylbutanoate
CID 157088844
azanium 2,2-dimethylbutanoate
CID 90967382
silver 2,2-dimethylpentanoate
CID 121375132
3,3,5,5-tetramethylheptan-4-one
CID 18520351
sodium 3-chloro-2,2-dimethylpropanoate
CID 23670066
copper 2,2-dimethylpropanedioate
CID 88802618
copper(1+);2,2-dimethylheptanoate
CID 159491834
2,2-dimethylbutaneperoxoate
CID 171460044
2,2-dimethylbutanoic acid;methane
CID 159782886
tris(2,2-diethylpropanedioate);iron(6+)
CID 158005810
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
bis(2-butanoyl-2-methylpropanedioate);titanium(4+)
CID 175928304

Frequently Asked Questions

What is the IUPAC name of copper bis(2,2-dimethylbutanoate)?
The IUPAC name of copper bis(2,2-dimethylbutanoate) (CID 158983078) is copper bis(2,2-dimethylbutanoate).
What is the SMILES notation for copper bis(2,2-dimethylbutanoate)?
The canonical SMILES for copper bis(2,2-dimethylbutanoate) is CCC(C)(C)C(=O)[O-].CCC(C)(C)C(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(2,2-dimethylbutanoate)?
The InChIKey is JPFYFMOIGVYMNU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H12O2.Cu/c2*1-4-6(2,3)5(7)8;/h2*4H2,1-3H3,(H,7,8);/q;;+2/p-2.
What are the key properties of copper bis(2,2-dimethylbutanoate)?
copper bis(2,2-dimethylbutanoate) has a molecular weight of 293.85 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2,2-dimethylbutanoate) is sourced from PubChem (CID 158983078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).