bis(2-oxoethyl)mercury

C4H6HgO2 — CID 20412

IUPACbis(2-oxoethyl)mercury
SMILESO=CC[Hg]CC=O
InChIInChI=1S/2C2H3O.Hg/c2*1-2-3;/h2*2H,1H2;
InChIKeySFWXIKBVPJRJIT-UHFFFAOYSA-N
MW286.68 g/mol
LogP0.30
Rot. Bonds4

About bis(2-oxoethyl)mercury

bis(2-oxoethyl)mercury (PubChem CID 20412) has the molecular formula C4H6HgO2 and a molecular weight of 286.68 g/mol. Its IUPAC name is bis(2-oxoethyl)mercury.

Molecular Properties

Compound Namebis(2-oxoethyl)mercury
PubChem CID20412
Molecular FormulaC4H6HgO2
Molecular Weight286.68 g/mol
Exact Mass288.01
IUPAC Namebis(2-oxoethyl)mercury
SMILESO=CC[Hg]CC=O
InChIInChI=1S/2C2H3O.Hg/c2*1-2-3;/h2*2H,1H2;
InChIKeySFWXIKBVPJRJIT-UHFFFAOYSA-N
XLogP0.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-oxoethyl)mercury?
The IUPAC name of bis(2-oxoethyl)mercury (CID 20412) is bis(2-oxoethyl)mercury.
What is the SMILES notation for bis(2-oxoethyl)mercury?
The canonical SMILES for bis(2-oxoethyl)mercury is O=CC[Hg]CC=O.
What is the InChIKey of bis(2-oxoethyl)mercury?
The InChIKey is SFWXIKBVPJRJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3O.Hg/c2*1-2-3;/h2*2H,1H2;.
What are the key properties of bis(2-oxoethyl)mercury?
bis(2-oxoethyl)mercury has a molecular weight of 286.68 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-oxoethyl)mercury is sourced from PubChem (CID 20412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).