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

C8H12Ir2 — CID 173000003

IUPAC(5Z)-cycloocta-1,5-diene;bis(iridium)
SMILESC1=CCC/C=C\CC1.[Ir].[Ir]
InChIInChI=1S/C8H12.2Ir/c1-2-4-6-8-7-5-3-1;;/h1-2,7-8H,3-6H2;;/b2-1-,8-7?;;
InChIKeyHHDBHSJOAURMII-RPMSXJIWSA-N
MW492.62 g/mol
LogP2.67
Rot. Bonds

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

(5Z)-cycloocta-1,5-diene;bis(iridium) (PubChem CID 173000003) has the molecular formula C8H12Ir2 and a molecular weight of 492.62 g/mol. Its IUPAC name is (5Z)-cycloocta-1,5-diene;bis(iridium).

Molecular Properties

Compound Name(5Z)-cycloocta-1,5-diene;bis(iridium)
PubChem CID173000003
Molecular FormulaC8H12Ir2
Molecular Weight492.62 g/mol
Exact Mass494.02
IUPAC Name(5Z)-cycloocta-1,5-diene;bis(iridium)
SMILESC1=CCC/C=C\CC1.[Ir].[Ir]
InChIInChI=1S/C8H12.2Ir/c1-2-4-6-8-7-5-3-1;;/h1-2,7-8H,3-6H2;;/b2-1-,8-7?;;
InChIKeyHHDBHSJOAURMII-RPMSXJIWSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-cycloocta-1,5-diene;bis(iridium)?
The IUPAC name of (5Z)-cycloocta-1,5-diene;bis(iridium) (CID 173000003) is (5Z)-cycloocta-1,5-diene;bis(iridium).
What is the SMILES notation for (5Z)-cycloocta-1,5-diene;bis(iridium)?
The canonical SMILES for (5Z)-cycloocta-1,5-diene;bis(iridium) is C1=CCC/C=C\CC1.[Ir].[Ir].
What is the InChIKey of (5Z)-cycloocta-1,5-diene;bis(iridium)?
The InChIKey is HHDBHSJOAURMII-RPMSXJIWSA-N. The full InChI is InChI=1S/C8H12.2Ir/c1-2-4-6-8-7-5-3-1;;/h1-2,7-8H,3-6H2;;/b2-1-,8-7?;;.
What are the key properties of (5Z)-cycloocta-1,5-diene;bis(iridium)?
(5Z)-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 (5Z)-cycloocta-1,5-diene;bis(iridium) is sourced from PubChem (CID 173000003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).