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

C8H13BF4Rh — CID 86627670

IUPACcycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[H+].[Rh]
InChIInChI=1S/C8H12.BF4.Rh/c1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-2,7-8H,3-6H2;;/q;-1;/p+1
InChIKeyYUGUBQRHOXNGIQ-UHFFFAOYSA-O
MW298.90 g/mol
LogP4.08
Rot. Bonds

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

cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate (PubChem CID 86627670) has the molecular formula C8H13BF4Rh and a molecular weight of 298.90 g/mol. Its IUPAC name is cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate.

Molecular Properties

Compound Namecycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate
PubChem CID86627670
Molecular FormulaC8H13BF4Rh
Molecular Weight298.90 g/mol
Exact Mass299.01
IUPAC Namecycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[H+].[Rh]
InChIInChI=1S/C8H12.BF4.Rh/c1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-2,7-8H,3-6H2;;/q;-1;/p+1
InChIKeyYUGUBQRHOXNGIQ-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 ≤ 500298.90
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'}

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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate?
The IUPAC name of cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate (CID 86627670) is cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate.
What is the SMILES notation for cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate?
The canonical SMILES for cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate is C1=CCCC=CCC1.F[B-](F)(F)F.[H+].[Rh].
What is the InChIKey of cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate?
The InChIKey is YUGUBQRHOXNGIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H12.BF4.Rh/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;rhodium;tetrafluoroborate?
cycloocta-1,5-diene;hydron;rhodium;tetrafluoroborate has a molecular weight of 298.90 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;rhodium;tetrafluoroborate is sourced from PubChem (CID 86627670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).