cadmium(2+);diformate;hydrate

C2H4CdO5 — CID 157284415

IUPACcadmium(2+);diformate;hydrate
SMILESO.O=C[O-].O=C[O-].[Cd+2]
InChIInChI=1S/2CH2O2.Cd.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2
InChIKeySHIXSNGWZWMYBZ-UHFFFAOYSA-L
MW220.46 g/mol
LogP-4.09
Rot. Bonds

About cadmium(2+);diformate;hydrate

cadmium(2+);diformate;hydrate (PubChem CID 157284415) has the molecular formula C2H4CdO5 and a molecular weight of 220.46 g/mol. Its IUPAC name is cadmium(2+);diformate;hydrate.

Molecular Properties

Compound Namecadmium(2+);diformate;hydrate
PubChem CID157284415
Molecular FormulaC2H4CdO5
Molecular Weight220.46 g/mol
Exact Mass221.91
IUPAC Namecadmium(2+);diformate;hydrate
SMILESO.O=C[O-].O=C[O-].[Cd+2]
InChIInChI=1S/2CH2O2.Cd.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2
InChIKeySHIXSNGWZWMYBZ-UHFFFAOYSA-L
XLogP-4.09
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.46
LogP ≤ 5-4.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cadmium(2+);diformate;hydrate?
The IUPAC name of cadmium(2+);diformate;hydrate (CID 157284415) is cadmium(2+);diformate;hydrate.
What is the SMILES notation for cadmium(2+);diformate;hydrate?
The canonical SMILES for cadmium(2+);diformate;hydrate is O.O=C[O-].O=C[O-].[Cd+2].
What is the InChIKey of cadmium(2+);diformate;hydrate?
The InChIKey is SHIXSNGWZWMYBZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH2O2.Cd.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+2;/p-2.
What are the key properties of cadmium(2+);diformate;hydrate?
cadmium(2+);diformate;hydrate has a molecular weight of 220.46 g/mol, XLogP of -4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);diformate;hydrate is sourced from PubChem (CID 157284415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).