ethylmercury(1+) acetate

C4H8HgO2 — CID 7999

IUPACethylmercury(1+) acetate
SMILESCC(=O)[O-].CC[Hg+]
InChIInChI=1S/C2H4O2.C2H5.Hg/c1-2(3)4;1-2;/h1H3,(H,3,4);1H2,2H3;/q;;+1/p-1
InChIKeyUVCFFGYNJOPUSF-UHFFFAOYSA-M
MW288.70 g/mol
LogP-0.27
Rot. Bonds

About ethylmercury(1+) acetate

ethylmercury(1+) acetate (PubChem CID 7999) has the molecular formula C4H8HgO2 and a molecular weight of 288.70 g/mol. Its IUPAC name is ethylmercury(1+) acetate.

Molecular Properties

Compound Nameethylmercury(1+) acetate
PubChem CID7999
Molecular FormulaC4H8HgO2
Molecular Weight288.70 g/mol
Exact Mass290.02
IUPAC Nameethylmercury(1+) acetate
SMILESCC(=O)[O-].CC[Hg+]
InChIInChI=1S/C2H4O2.C2H5.Hg/c1-2(3)4;1-2;/h1H3,(H,3,4);1H2,2H3;/q;;+1/p-1
InChIKeyUVCFFGYNJOPUSF-UHFFFAOYSA-M
XLogP-0.27
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethylmercury(1+) acetate?
The IUPAC name of ethylmercury(1+) acetate (CID 7999) is ethylmercury(1+) acetate.
What is the SMILES notation for ethylmercury(1+) acetate?
The canonical SMILES for ethylmercury(1+) acetate is CC(=O)[O-].CC[Hg+].
What is the InChIKey of ethylmercury(1+) acetate?
The InChIKey is UVCFFGYNJOPUSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2.C2H5.Hg/c1-2(3)4;1-2;/h1H3,(H,3,4);1H2,2H3;/q;;+1/p-1.
What are the key properties of ethylmercury(1+) acetate?
ethylmercury(1+) acetate has a molecular weight of 288.70 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylmercury(1+) acetate is sourced from PubChem (CID 7999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).