copper;diacetate;trihydrate

C4H12CuO7 — CID 161466720

IUPACcopper;diacetate;trihydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.[Cu+2]
InChIInChI=1S/2C2H4O2.Cu.3H2O/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);;3*1H2/q;;+2;;;/p-2
InChIKeyWCNNZCGJRFBOLB-UHFFFAOYSA-L
MW235.68 g/mol
LogP-4.96
Rot. Bonds

About copper;diacetate;trihydrate

copper;diacetate;trihydrate (PubChem CID 161466720) has the molecular formula C4H12CuO7 and a molecular weight of 235.68 g/mol. Its IUPAC name is copper;diacetate;trihydrate.

Molecular Properties

Compound Namecopper;diacetate;trihydrate
PubChem CID161466720
Molecular FormulaC4H12CuO7
Molecular Weight235.68 g/mol
Exact Mass234.99
IUPAC Namecopper;diacetate;trihydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.[Cu+2]
InChIInChI=1S/2C2H4O2.Cu.3H2O/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);;3*1H2/q;;+2;;;/p-2
InChIKeyWCNNZCGJRFBOLB-UHFFFAOYSA-L
XLogP-4.96
TPSA174.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 5-4.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dicopper diacetate
CID 158276690
tetrasodium;tetraacetate;hydrate
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yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
CID 102418603
praseodymium(3+);triacetate;trihydrate
CID 172733090
sodium;acetate;trihydrate
CID 23665404
iron(2+);diacetate;heptahydrate
CID 173209391
CID 170997536
CID 170997536
zinc;diacetate;heptahydrate
CID 161319738
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582
cobalt(2+);acetate;hexahydrate
CID 21479533

Frequently Asked Questions

What is the IUPAC name of copper;diacetate;trihydrate?
The IUPAC name of copper;diacetate;trihydrate (CID 161466720) is copper;diacetate;trihydrate.
What is the SMILES notation for copper;diacetate;trihydrate?
The canonical SMILES for copper;diacetate;trihydrate is CC(=O)[O-].CC(=O)[O-].O.O.O.[Cu+2].
What is the InChIKey of copper;diacetate;trihydrate?
The InChIKey is WCNNZCGJRFBOLB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.Cu.3H2O/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);;3*1H2/q;;+2;;;/p-2.
What are the key properties of copper;diacetate;trihydrate?
copper;diacetate;trihydrate has a molecular weight of 235.68 g/mol, XLogP of -4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;diacetate;trihydrate is sourced from PubChem (CID 161466720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).