ethane;iodogold

C8H20Au2I2-4 — CID 135082220

IUPACethane;iodogold
SMILESI[Au].I[Au].[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C
InChIInChI=1S/4C2H5.2Au.2HI/c4*1-2;;;;/h4*1H2,2H3;;;2*1H/q4*-1;2*+1;;/p-2
InChIKeyNIJMCPNCMXNXDM-UHFFFAOYSA-L
MW763.99 g/mol
LogP5.13
Rot. Bonds

About ethane;iodogold

ethane;iodogold (PubChem CID 135082220) has the molecular formula C8H20Au2I2-4 and a molecular weight of 763.99 g/mol. Its IUPAC name is ethane;iodogold.

Molecular Properties

Compound Nameethane;iodogold
PubChem CID135082220
Molecular FormulaC8H20Au2I2-4
Molecular Weight763.99 g/mol
Exact Mass763.90
IUPAC Nameethane;iodogold
SMILESI[Au].I[Au].[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C
InChIInChI=1S/4C2H5.2Au.2HI/c4*1-2;;;;/h4*1H2,2H3;;;2*1H/q4*-1;2*+1;;/p-2
InChIKeyNIJMCPNCMXNXDM-UHFFFAOYSA-L
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.99
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;iodogold?
The IUPAC name of ethane;iodogold (CID 135082220) is ethane;iodogold.
What is the SMILES notation for ethane;iodogold?
The canonical SMILES for ethane;iodogold is I[Au].I[Au].[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.
What is the InChIKey of ethane;iodogold?
The InChIKey is NIJMCPNCMXNXDM-UHFFFAOYSA-L. The full InChI is InChI=1S/4C2H5.2Au.2HI/c4*1-2;;;;/h4*1H2,2H3;;;2*1H/q4*-1;2*+1;;/p-2.
What are the key properties of ethane;iodogold?
ethane;iodogold has a molecular weight of 763.99 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;iodogold is sourced from PubChem (CID 135082220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).