copper(1+);ethanone;propan-2-one

C5H9CuO2 — CID 87381643

IUPACcopper(1+);ethanone;propan-2-one
SMILESCC(C)=O.C[C-]=O.[Cu+]
InChIInChI=1S/C3H6O.C2H3O.Cu/c1-3(2)4;1-2-3;/h1-2H3;1H3;/q;-1;+1
InChIKeyFHUMETILKBTMEK-UHFFFAOYSA-N
MW164.67 g/mol
LogP0.71
Rot. Bonds

About copper(1+);ethanone;propan-2-one

copper(1+);ethanone;propan-2-one (PubChem CID 87381643) has the molecular formula C5H9CuO2 and a molecular weight of 164.67 g/mol. Its IUPAC name is copper(1+);ethanone;propan-2-one.

Molecular Properties

Compound Namecopper(1+);ethanone;propan-2-one
PubChem CID87381643
Molecular FormulaC5H9CuO2
Molecular Weight164.67 g/mol
Exact Mass163.99
IUPAC Namecopper(1+);ethanone;propan-2-one
SMILESCC(C)=O.C[C-]=O.[Cu+]
InChIInChI=1S/C3H6O.C2H3O.Cu/c1-3(2)4;1-2-3;/h1-2H3;1H3;/q;-1;+1
InChIKeyFHUMETILKBTMEK-UHFFFAOYSA-N
XLogP0.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.67
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

copper;ethane;ethanone;acetate
CID 23159113
ethanone;manganese(2+)
CID 23617191
argon;propan-2-one
CID 19604749
ethanone;zirconium
CID 158854782
Silane-acetone
CID 18680436
propan-2-one;zirconium
CID 87087539
nickel;tris(propan-2-one)
CID 175333114
ethanone;titanium
CID 71775225
silver bis(propan-2-one)
CID 71340648
acetic acid;ethanone;2-methylpropan-1-one;silver
CID 146467097
ethanone;oxozinc
CID 58527707
ethanone;zirconium;tetrahydrochloride
CID 174366776

Frequently Asked Questions

What is the IUPAC name of copper(1+);ethanone;propan-2-one?
The IUPAC name of copper(1+);ethanone;propan-2-one (CID 87381643) is copper(1+);ethanone;propan-2-one.
What is the SMILES notation for copper(1+);ethanone;propan-2-one?
The canonical SMILES for copper(1+);ethanone;propan-2-one is CC(C)=O.C[C-]=O.[Cu+].
What is the InChIKey of copper(1+);ethanone;propan-2-one?
The InChIKey is FHUMETILKBTMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H3O.Cu/c1-3(2)4;1-2-3;/h1-2H3;1H3;/q;-1;+1.
What are the key properties of copper(1+);ethanone;propan-2-one?
copper(1+);ethanone;propan-2-one has a molecular weight of 164.67 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);ethanone;propan-2-one is sourced from PubChem (CID 87381643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).