acetyloxy(2-methoxyethyl)mercury

C5H10HgO3 — CID 16682936

IUPACacetyloxy(2-methoxyethyl)mercury
SMILESCOCC[Hg]OC(C)=O
InChIInChI=1S/C3H7O.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3H2,2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyAGJBKFAPBKOEGA-UHFFFAOYSA-M
MW318.72 g/mol
LogP0.61
Rot. Bonds4

About acetyloxy(2-methoxyethyl)mercury

acetyloxy(2-methoxyethyl)mercury (PubChem CID 16682936) has the molecular formula C5H10HgO3 and a molecular weight of 318.72 g/mol. Its IUPAC name is acetyloxy(2-methoxyethyl)mercury.

Molecular Properties

Compound Nameacetyloxy(2-methoxyethyl)mercury
PubChem CID16682936
Molecular FormulaC5H10HgO3
Molecular Weight318.72 g/mol
Exact Mass320.03
IUPAC Nameacetyloxy(2-methoxyethyl)mercury
SMILESCOCC[Hg]OC(C)=O
InChIInChI=1S/C3H7O.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3H2,2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyAGJBKFAPBKOEGA-UHFFFAOYSA-M
XLogP0.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 acetyloxy(2-methoxyethyl)mercury?
The IUPAC name of acetyloxy(2-methoxyethyl)mercury (CID 16682936) is acetyloxy(2-methoxyethyl)mercury.
What is the SMILES notation for acetyloxy(2-methoxyethyl)mercury?
The canonical SMILES for acetyloxy(2-methoxyethyl)mercury is COCC[Hg]OC(C)=O.
What is the InChIKey of acetyloxy(2-methoxyethyl)mercury?
The InChIKey is AGJBKFAPBKOEGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3H2,2H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy(2-methoxyethyl)mercury?
acetyloxy(2-methoxyethyl)mercury has a molecular weight of 318.72 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy(2-methoxyethyl)mercury is sourced from PubChem (CID 16682936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).