acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury

C14H16FeHg2O4-2 — CID 42621339

IUPACacetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury
SMILESCC(=O)[OH2+].CC(=O)[OH2+].[Fe+2].[Hg].[Hg].[c-]1[c-][c-][cH-][c-]1.c1cc[cH-]c1
InChIInChI=1S/C5H5.C5H.2C2H4O2.Fe.2Hg/c2*1-2-4-5-3-1;2*1-2(3)4;;;/h1-5H;1H;2*1H3,(H,3,4);;;/q-1;-5;;;+2;;/p+2
InChIKeyVOIHERCUUPMBSM-UHFFFAOYSA-P
MW705.30 g/mol
LogP0.52
Rot. Bonds

About acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury

acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury (PubChem CID 42621339) has the molecular formula C14H16FeHg2O4-2 and a molecular weight of 705.30 g/mol. Its IUPAC name is acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury.

Molecular Properties

Compound Nameacetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury
PubChem CID42621339
Molecular FormulaC14H16FeHg2O4-2
Molecular Weight705.30 g/mol
Exact Mass707.98
IUPAC Nameacetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury
SMILESCC(=O)[OH2+].CC(=O)[OH2+].[Fe+2].[Hg].[Hg].[c-]1[c-][c-][cH-][c-]1.c1cc[cH-]c1
InChIInChI=1S/C5H5.C5H.2C2H4O2.Fe.2Hg/c2*1-2-4-5-3-1;2*1-2(3)4;;;/h1-5H;1H;2*1H3,(H,3,4);;;/q-1;-5;;;+2;;/p+2
InChIKeyVOIHERCUUPMBSM-UHFFFAOYSA-P
XLogP0.52
TPSA79.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500705.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury?
The IUPAC name of acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury (CID 42621339) is acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury.
What is the SMILES notation for acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury?
The canonical SMILES for acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury is CC(=O)[OH2+].CC(=O)[OH2+].[Fe+2].[Hg].[Hg].[c-]1[c-][c-][cH-][c-]1.c1cc[cH-]c1.
What is the InChIKey of acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury?
The InChIKey is VOIHERCUUPMBSM-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H5.C5H.2C2H4O2.Fe.2Hg/c2*1-2-4-5-3-1;2*1-2(3)4;;;/h1-5H;1H;2*1H3,(H,3,4);;;/q-1;-5;;;+2;;/p+2.
What are the key properties of acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury?
acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury has a molecular weight of 705.30 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxidanium;cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+);mercury is sourced from PubChem (CID 42621339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).