acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury

C10H18Hg2O6 — CID 16683593

IUPACacetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury
SMILESCOC(C[Hg]OC(C)=O)C(C[Hg]OC(C)=O)OC
InChIInChI=1S/C6H12O2.2C2H4O2.2Hg/c1-5(7-3)6(2)8-4;2*1-2(3)4;;/h5-6H,1-2H2,3-4H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyVGWUFMWVHALSRK-UHFFFAOYSA-L
MW635.43 g/mol
LogP0.97
Rot. Bonds9

About acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury

acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury (PubChem CID 16683593) has the molecular formula C10H18Hg2O6 and a molecular weight of 635.43 g/mol. Its IUPAC name is acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury
PubChem CID16683593
Molecular FormulaC10H18Hg2O6
Molecular Weight635.43 g/mol
Exact Mass638.05
IUPAC Nameacetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury
SMILESCOC(C[Hg]OC(C)=O)C(C[Hg]OC(C)=O)OC
InChIInChI=1S/C6H12O2.2C2H4O2.2Hg/c1-5(7-3)6(2)8-4;2*1-2(3)4;;/h5-6H,1-2H2,3-4H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyVGWUFMWVHALSRK-UHFFFAOYSA-L
XLogP0.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.43
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury?
The IUPAC name of acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury (CID 16683593) is acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury.
What is the SMILES notation for acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury?
The canonical SMILES for acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury is COC(C[Hg]OC(C)=O)C(C[Hg]OC(C)=O)OC.
What is the InChIKey of acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury?
The InChIKey is VGWUFMWVHALSRK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12O2.2C2H4O2.2Hg/c1-5(7-3)6(2)8-4;2*1-2(3)4;;/h5-6H,1-2H2,3-4H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2.
What are the key properties of acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury?
acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury has a molecular weight of 635.43 g/mol, XLogP of 0.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-[4-(acetyloxymercurio)-2,3-dimethoxybutyl]mercury is sourced from PubChem (CID 16683593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).