cycloocta-1,5-diene;bis(iridium)

C8H12Ir2 — CID 158477680

IUPACcycloocta-1,5-diene;bis(iridium)
SMILESC1=CCCC=CCC1.[Ir].[Ir]
InChIInChI=1S/C8H12.2Ir/c1-2-4-6-8-7-5-3-1;;/h1-2,7-8H,3-6H2;;
InChIKeyHHDBHSJOAURMII-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.67
Rot. Bonds

About cycloocta-1,5-diene;bis(iridium)

cycloocta-1,5-diene;bis(iridium) (PubChem CID 158477680) has the molecular formula C8H12Ir2 and a molecular weight of 492.62 g/mol. Its IUPAC name is cycloocta-1,5-diene;bis(iridium).

Molecular Properties

Compound Namecycloocta-1,5-diene;bis(iridium)
PubChem CID158477680
Molecular FormulaC8H12Ir2
Molecular Weight492.62 g/mol
Exact Mass494.02
IUPAC Namecycloocta-1,5-diene;bis(iridium)
SMILESC1=CCCC=CCC1.[Ir].[Ir]
InChIInChI=1S/C8H12.2Ir/c1-2-4-6-8-7-5-3-1;;/h1-2,7-8H,3-6H2;;
InChIKeyHHDBHSJOAURMII-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-cycloocta-1,5-diene;bis(iridium)
CID 173000003
cyclododeca-1,5,9-triene;nickel
CID 72956495
bis(cycloocta-1,5-diene);ruthenium
CID 158609135
bis(cycloocta-1,5-diene);iridium;methanol
CID 175417772
(5Z)-cycloocta-1,5-diene;iridium;methanol
CID 173048141
(5Z)-cycloocta-1,5-diene;ruthenium(2+);dichloride
CID 173118976
bis(cycloocta-1,5-diene);rhodium(3+);trichloride
CID 159589811
cycloocta-1,5-diene;ruthenium(3+);trichloride
CID 161202598
bis((1Z,5Z)-cycloocta-1,5-diene);bis(iridium);methane;methanolate
CID 127020978
cyclobutene;phosphane
CID 160703954
cyclobutene;dihydrobromide
CID 88606852
cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate
CID 161139684

Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;bis(iridium)?
The IUPAC name of cycloocta-1,5-diene;bis(iridium) (CID 158477680) is cycloocta-1,5-diene;bis(iridium).
What is the SMILES notation for cycloocta-1,5-diene;bis(iridium)?
The canonical SMILES for cycloocta-1,5-diene;bis(iridium) is C1=CCCC=CCC1.[Ir].[Ir].
What is the InChIKey of cycloocta-1,5-diene;bis(iridium)?
The InChIKey is HHDBHSJOAURMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.2Ir/c1-2-4-6-8-7-5-3-1;;/h1-2,7-8H,3-6H2;;.
What are the key properties of cycloocta-1,5-diene;bis(iridium)?
cycloocta-1,5-diene;bis(iridium) has a molecular weight of 492.62 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;bis(iridium) is sourced from PubChem (CID 158477680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).