dizinc;tetraacetate;tetrahydrate

C8H20O12Zn2 — CID 175240044

IUPACdizinc;tetraacetate;tetrahydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Zn+2].[Zn+2]
InChIInChI=1S/4C2H4O2.4H2O.2Zn/c4*1-2(3)4;;;;;;/h4*1H3,(H,3,4);4*1H2;;/q;;;;;;;;2*+2/p-4
InChIKeySDSTYJWCAIPRGT-UHFFFAOYSA-J
MW439.02 g/mol
LogP-8.28
Rot. Bonds

About dizinc;tetraacetate;tetrahydrate

dizinc;tetraacetate;tetrahydrate (PubChem CID 175240044) has the molecular formula C8H20O12Zn2 and a molecular weight of 439.02 g/mol. Its IUPAC name is dizinc;tetraacetate;tetrahydrate.

Molecular Properties

Compound Namedizinc;tetraacetate;tetrahydrate
PubChem CID175240044
Molecular FormulaC8H20O12Zn2
Molecular Weight439.02 g/mol
Exact Mass435.95
IUPAC Namedizinc;tetraacetate;tetrahydrate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Zn+2].[Zn+2]
InChIInChI=1S/4C2H4O2.4H2O.2Zn/c4*1-2(3)4;;;;;;/h4*1H3,(H,3,4);4*1H2;;/q;;;;;;;;2*+2/p-4
InChIKeySDSTYJWCAIPRGT-UHFFFAOYSA-J
XLogP-8.28
TPSA286.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.02
LogP ≤ 5-8.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

zinc;diacetate;heptahydrate
CID 161319738
sodium;zinc;acetate;hydroxide;dihydrate
CID 172844244
tetrasodium;tetraacetate;hydrate
CID 141360802
cerium(3+);acetate;hexahydrate
CID 23158452
yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
CID 102418603
zinc;antimony(3+);acetate
CID 22763681
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582
cobalt(2+);acetate;hexahydrate
CID 21479533
uranium;hexaacetate;hydrate
CID 174392556
praseodymium(3+);triacetate;trihydrate
CID 172733090

Frequently Asked Questions

What is the IUPAC name of dizinc;tetraacetate;tetrahydrate?
The IUPAC name of dizinc;tetraacetate;tetrahydrate (CID 175240044) is dizinc;tetraacetate;tetrahydrate.
What is the SMILES notation for dizinc;tetraacetate;tetrahydrate?
The canonical SMILES for dizinc;tetraacetate;tetrahydrate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;tetraacetate;tetrahydrate?
The InChIKey is SDSTYJWCAIPRGT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H4O2.4H2O.2Zn/c4*1-2(3)4;;;;;;/h4*1H3,(H,3,4);4*1H2;;/q;;;;;;;;2*+2/p-4.
What are the key properties of dizinc;tetraacetate;tetrahydrate?
dizinc;tetraacetate;tetrahydrate has a molecular weight of 439.02 g/mol, XLogP of -8.28, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;tetraacetate;tetrahydrate is sourced from PubChem (CID 175240044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).