acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury

C10H10Hg2O5 — CID 16684625

IUPACacetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury
SMILESCC(=O)O[Hg]c1ccc(O)c([Hg]OC(C)=O)c1
InChIInChI=1S/C6H4O.2C2H4O2.2Hg/c7-6-4-2-1-3-5-6;2*1-2(3)4;;/h2-4,7H;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyPJACIARZDLFFHQ-UHFFFAOYSA-L
MW611.37 g/mol
LogP-0.24
Rot. Bonds4

About acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury

acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury (PubChem CID 16684625) has the molecular formula C10H10Hg2O5 and a molecular weight of 611.37 g/mol. Its IUPAC name is acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury
PubChem CID16684625
Molecular FormulaC10H10Hg2O5
Molecular Weight611.37 g/mol
Exact Mass613.99
IUPAC Nameacetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury
SMILESCC(=O)O[Hg]c1ccc(O)c([Hg]OC(C)=O)c1
InChIInChI=1S/C6H4O.2C2H4O2.2Hg/c7-6-4-2-1-3-5-6;2*1-2(3)4;;/h2-4,7H;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyPJACIARZDLFFHQ-UHFFFAOYSA-L
XLogP-0.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]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 acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury?
The IUPAC name of acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury (CID 16684625) is acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury.
What is the SMILES notation for acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury?
The canonical SMILES for acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury is CC(=O)O[Hg]c1ccc(O)c([Hg]OC(C)=O)c1.
What is the InChIKey of acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury?
The InChIKey is PJACIARZDLFFHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H4O.2C2H4O2.2Hg/c7-6-4-2-1-3-5-6;2*1-2(3)4;;/h2-4,7H;2*1H3,(H,3,4);;/q;;;2*+1/p-2.
What are the key properties of acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury?
acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury has a molecular weight of 611.37 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-[3-(acetyloxymercurio)-4-hydroxyphenyl]mercury is sourced from PubChem (CID 16684625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).