acetyloxy(ethyl)mercury

C4H8HgO2 — CID 21313703

IUPACacetyloxy(ethyl)mercury
SMILESCC[Hg]OC(C)=O
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
LogP0.99
Rot. Bonds2

About acetyloxy(ethyl)mercury

acetyloxy(ethyl)mercury (PubChem CID 21313703) has the molecular formula C4H8HgO2 and a molecular weight of 288.70 g/mol. Its IUPAC name is acetyloxy(ethyl)mercury.

Molecular Properties

Compound Nameacetyloxy(ethyl)mercury
PubChem CID21313703
Molecular FormulaC4H8HgO2
Molecular Weight288.70 g/mol
Exact Mass290.02
IUPAC Nameacetyloxy(ethyl)mercury
SMILESCC[Hg]OC(C)=O
InChIInChI=1S/C2H4O2.C2H5.Hg/c1-2(3)4;1-2;/h1H3,(H,3,4);1H2,2H3;/q;;+1/p-1
InChIKeyUVCFFGYNJOPUSF-UHFFFAOYSA-M
XLogP0.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.70
LogP ≤ 50.99
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 acetyloxy(ethyl)mercury?
The IUPAC name of acetyloxy(ethyl)mercury (CID 21313703) is acetyloxy(ethyl)mercury.
What is the SMILES notation for acetyloxy(ethyl)mercury?
The canonical SMILES for acetyloxy(ethyl)mercury is CC[Hg]OC(C)=O.
What is the InChIKey of acetyloxy(ethyl)mercury?
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 acetyloxy(ethyl)mercury?
acetyloxy(ethyl)mercury has a molecular weight of 288.70 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(ethyl)mercury is sourced from PubChem (CID 21313703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).