bis(2-methoxy-2-oxoethyl)mercury

C6H10HgO4 — CID 12632737

IUPACbis(2-methoxy-2-oxoethyl)mercury
SMILESCOC(=O)C[Hg]CC(=O)OC
InChIInChI=1S/2C3H5O2.Hg/c2*1-3(4)5-2;/h2*1H2,2H3;
InChIKeyZXHJTCXPSYCIKK-UHFFFAOYSA-N
MW346.73 g/mol
LogP0.25
Rot. Bonds4

About bis(2-methoxy-2-oxoethyl)mercury

bis(2-methoxy-2-oxoethyl)mercury (PubChem CID 12632737) has the molecular formula C6H10HgO4 and a molecular weight of 346.73 g/mol. Its IUPAC name is bis(2-methoxy-2-oxoethyl)mercury.

Molecular Properties

Compound Namebis(2-methoxy-2-oxoethyl)mercury
PubChem CID12632737
Molecular FormulaC6H10HgO4
Molecular Weight346.73 g/mol
Exact Mass348.03
IUPAC Namebis(2-methoxy-2-oxoethyl)mercury
SMILESCOC(=O)C[Hg]CC(=O)OC
InChIInChI=1S/2C3H5O2.Hg/c2*1-3(4)5-2;/h2*1H2,2H3;
InChIKeyZXHJTCXPSYCIKK-UHFFFAOYSA-N
XLogP0.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.73
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2-methoxy-2-oxoethyl)mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxy-2-oxoethyl)mercury?
The IUPAC name of bis(2-methoxy-2-oxoethyl)mercury (CID 12632737) is bis(2-methoxy-2-oxoethyl)mercury.
What is the SMILES notation for bis(2-methoxy-2-oxoethyl)mercury?
The canonical SMILES for bis(2-methoxy-2-oxoethyl)mercury is COC(=O)C[Hg]CC(=O)OC.
What is the InChIKey of bis(2-methoxy-2-oxoethyl)mercury?
The InChIKey is ZXHJTCXPSYCIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5O2.Hg/c2*1-3(4)5-2;/h2*1H2,2H3;.
What are the key properties of bis(2-methoxy-2-oxoethyl)mercury?
bis(2-methoxy-2-oxoethyl)mercury has a molecular weight of 346.73 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxy-2-oxoethyl)mercury is sourced from PubChem (CID 12632737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).