zinc;diacetate;heptahydrate

C4H20O11Zn — CID 161319738

IUPACzinc;diacetate;heptahydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.O.O.O.O.[Zn+2]
InChIInChI=1S/2C2H4O2.7H2O.Zn/c2*1-2(3)4;;;;;;;;/h2*1H3,(H,3,4);7*1H2;/q;;;;;;;;;+2/p-2
InChIKeyVJZDALONQDZPON-UHFFFAOYSA-L
MW309.58 g/mol
LogP-8.26
Rot. Bonds

About zinc;diacetate;heptahydrate

zinc;diacetate;heptahydrate (PubChem CID 161319738) has the molecular formula C4H20O11Zn and a molecular weight of 309.58 g/mol. Its IUPAC name is zinc;diacetate;heptahydrate.

Molecular Properties

Compound Namezinc;diacetate;heptahydrate
PubChem CID161319738
Molecular FormulaC4H20O11Zn
Molecular Weight309.58 g/mol
Exact Mass308.03
IUPAC Namezinc;diacetate;heptahydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.O.O.O.O.O.O.[Zn+2]
InChIInChI=1S/2C2H4O2.7H2O.Zn/c2*1-2(3)4;;;;;;;;/h2*1H3,(H,3,4);7*1H2;/q;;;;;;;;;+2/p-2
InChIKeyVJZDALONQDZPON-UHFFFAOYSA-L
XLogP-8.26
TPSA300.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 5-8.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dizinc;tetraacetate;tetrahydrate
CID 175240044
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
tetrasodium;tetraacetate;hydrate
CID 141360802
yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
CID 102418603
praseodymium(3+);triacetate;trihydrate
CID 172733090
sodium;acetate;trihydrate
CID 23665404
CID 170997536
CID 170997536
iron(2+);diacetate;heptahydrate
CID 173209391
zinc;antimony(3+);acetate
CID 22763681
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582

Frequently Asked Questions

What is the IUPAC name of zinc;diacetate;heptahydrate?
The IUPAC name of zinc;diacetate;heptahydrate (CID 161319738) is zinc;diacetate;heptahydrate.
What is the SMILES notation for zinc;diacetate;heptahydrate?
The canonical SMILES for zinc;diacetate;heptahydrate is CC(=O)[O-].CC(=O)[O-].O.O.O.O.O.O.O.[Zn+2].
What is the InChIKey of zinc;diacetate;heptahydrate?
The InChIKey is VJZDALONQDZPON-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.7H2O.Zn/c2*1-2(3)4;;;;;;;;/h2*1H3,(H,3,4);7*1H2;/q;;;;;;;;;+2/p-2.
What are the key properties of zinc;diacetate;heptahydrate?
zinc;diacetate;heptahydrate has a molecular weight of 309.58 g/mol, XLogP of -8.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;diacetate;heptahydrate is sourced from PubChem (CID 161319738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).