tris(dimercuriomethylmercury);hexahydrate

C3H15Hg9O6 — CID 50909286

IUPACtris(dimercuriomethylmercury);hexahydrate
SMILESO.O.O.O.O.O.[Hg]C([Hg])[Hg].[Hg]C([Hg])[Hg].[Hg]C([Hg])[Hg]
InChIInChI=1S/3CH.9Hg.6H2O/h3*1H;;;;;;;;;;6*1H2
InChIKeyCQTIIMJGBZDUNU-UHFFFAOYSA-N
MW1952.46 g/mol
LogP-3.96
Rot. Bonds

About tris(dimercuriomethylmercury);hexahydrate

tris(dimercuriomethylmercury);hexahydrate (PubChem CID 50909286) has the molecular formula C3H15Hg9O6 and a molecular weight of 1952.46 g/mol. Its IUPAC name is tris(dimercuriomethylmercury);hexahydrate.

Molecular Properties

Compound Nametris(dimercuriomethylmercury);hexahydrate
PubChem CID50909286
Molecular FormulaC3H15Hg9O6
Molecular Weight1952.46 g/mol
Exact Mass1964.82
IUPAC Nametris(dimercuriomethylmercury);hexahydrate
SMILESO.O.O.O.O.O.[Hg]C([Hg])[Hg].[Hg]C([Hg])[Hg].[Hg]C([Hg])[Hg]
InChIInChI=1S/3CH.9Hg.6H2O/h3*1H;;;;;;;;;;6*1H2
InChIKeyCQTIIMJGBZDUNU-UHFFFAOYSA-N
XLogP-3.96
TPSA189.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001952.46
LogP ≤ 5-3.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(dimercuriomethylmercury);hexahydrate?
The IUPAC name of tris(dimercuriomethylmercury);hexahydrate (CID 50909286) is tris(dimercuriomethylmercury);hexahydrate.
What is the SMILES notation for tris(dimercuriomethylmercury);hexahydrate?
The canonical SMILES for tris(dimercuriomethylmercury);hexahydrate is O.O.O.O.O.O.[Hg]C([Hg])[Hg].[Hg]C([Hg])[Hg].[Hg]C([Hg])[Hg].
What is the InChIKey of tris(dimercuriomethylmercury);hexahydrate?
The InChIKey is CQTIIMJGBZDUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH.9Hg.6H2O/h3*1H;;;;;;;;;;6*1H2.
What are the key properties of tris(dimercuriomethylmercury);hexahydrate?
tris(dimercuriomethylmercury);hexahydrate has a molecular weight of 1952.46 g/mol, XLogP of -3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimercuriomethylmercury);hexahydrate is sourced from PubChem (CID 50909286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).