cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate

C8H13BF4Ir — CID 161139684

IUPACcycloocta-1,5-diene;hydron;iridium;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[H+].[Ir]
InChIInChI=1S/C8H12.BF4.Ir/c1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-2,7-8H,3-6H2;;/q;-1;/p+1
InChIKeyUNGPPYTZNFVUIY-UHFFFAOYSA-O
MW388.21 g/mol
LogP4.08
Rot. Bonds

About cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate

cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate (PubChem CID 161139684) has the molecular formula C8H13BF4Ir and a molecular weight of 388.21 g/mol. Its IUPAC name is cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate.

Molecular Properties

Compound Namecycloocta-1,5-diene;hydron;iridium;tetrafluoroborate
PubChem CID161139684
Molecular FormulaC8H13BF4Ir
Molecular Weight388.21 g/mol
Exact Mass389.07
IUPAC Namecycloocta-1,5-diene;hydron;iridium;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[H+].[Ir]
InChIInChI=1S/C8H12.BF4.Ir/c1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-2,7-8H,3-6H2;;/q;-1;/p+1
InChIKeyUNGPPYTZNFVUIY-UHFFFAOYSA-O
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate
CID 173319939
bis(cycloocta-1,5-diene);tetrafluoroborate;hydrate
CID 173157446
(5Z)-cycloocta-1,5-diene;bis(iridium)
CID 173000003
cycloocta-1,5-diene;bis(iridium)
CID 158477680
bis(acetonitrile);(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
CID 11132655
bis((1Z,5Z)-cycloocta-1,5-diene);methylsulfinylmethane;bis(rhodium);ditetrafluoroborate
CID 139184917
[(eta4-1,5-Cyclooctadiene)IrIbis-(1,3-dimethylimidazol-2-ylidene)]BF4
CID 78224400
(1Z,5Z)-cycloocta-1,5-diene;bis(piperidine);rhodium;tetrafluoroborate
CID 11081138
cyclododeca-1,5,9-triene;nickel
CID 72956495
bis(cycloocta-1,5-diene);ruthenium
CID 158609135
(1Z)-cycloocta-1,5-diene;cycloocta-1,5-diene;rhodium(2+);tetrafluoroborate
CID 173304745
(5Z)-cycloocta-1,5-diene;iridium;methanol
CID 173048141

Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate?
The IUPAC name of cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate (CID 161139684) is cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate.
What is the SMILES notation for cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate?
The canonical SMILES for cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate is C1=CCCC=CCC1.F[B-](F)(F)F.[H+].[Ir].
What is the InChIKey of cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate?
The InChIKey is UNGPPYTZNFVUIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12.BF4.Ir/c1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-2,7-8H,3-6H2;;/q;-1;/p+1.
What are the key properties of cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate?
cycloocta-1,5-diene;hydron;iridium;tetrafluoroborate has a molecular weight of 388.21 g/mol, XLogP of 4.08, 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;hydron;iridium;tetrafluoroborate is sourced from PubChem (CID 161139684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).