bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)

C10H8I2Ru — CID 158276340

IUPACbis(1-iodocyclopenta-1,3-diene);ruthenium(2+)
SMILESIc1ccc[cH-]1.Ic1ccc[cH-]1.[Ru+2]
InChIInChI=1S/2C5H4I.Ru/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2
InChIKeyGJQOXDHUUXVKLK-UHFFFAOYSA-N
MW483.05 g/mol
LogP4.02
Rot. Bonds

About bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)

bis(1-iodocyclopenta-1,3-diene);ruthenium(2+) (PubChem CID 158276340) has the molecular formula C10H8I2Ru and a molecular weight of 483.05 g/mol. Its IUPAC name is bis(1-iodocyclopenta-1,3-diene);ruthenium(2+).

Molecular Properties

Compound Namebis(1-iodocyclopenta-1,3-diene);ruthenium(2+)
PubChem CID158276340
Molecular FormulaC10H8I2Ru
Molecular Weight483.05 g/mol
Exact Mass483.78
IUPAC Namebis(1-iodocyclopenta-1,3-diene);ruthenium(2+)
SMILESIc1ccc[cH-]1.Ic1ccc[cH-]1.[Ru+2]
InChIInChI=1S/2C5H4I.Ru/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2
InChIKeyGJQOXDHUUXVKLK-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.05
LogP ≤ 54.02
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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Related Compounds

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CID 172701358
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
1-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene
CID 135031993
N-cyclopenta-1,3-dien-1-yl-N-phenylaniline
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carbon monoxide;hydride;1-methylcyclopenta-1,3-diene;tungsten(2+)
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1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
CID 57369550
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CID 160778051

Frequently Asked Questions

What is the IUPAC name of bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)?
The IUPAC name of bis(1-iodocyclopenta-1,3-diene);ruthenium(2+) (CID 158276340) is bis(1-iodocyclopenta-1,3-diene);ruthenium(2+).
What is the SMILES notation for bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)?
The canonical SMILES for bis(1-iodocyclopenta-1,3-diene);ruthenium(2+) is Ic1ccc[cH-]1.Ic1ccc[cH-]1.[Ru+2].
What is the InChIKey of bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)?
The InChIKey is GJQOXDHUUXVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4I.Ru/c2*6-5-3-1-2-4-5;/h2*1-4H;/q2*-1;+2.
What are the key properties of bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)?
bis(1-iodocyclopenta-1,3-diene);ruthenium(2+) has a molecular weight of 483.05 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-iodocyclopenta-1,3-diene);ruthenium(2+) is sourced from PubChem (CID 158276340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).