bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate

C16H22BF4Rh- — CID 132778347

IUPACbis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate
SMILESF[B-](F)(F)F.[C-]1=C\CCC=CCC/1.[C-]1=C\CCC=CCC/1.[Rh+2]
InChIInChI=1S/2C8H11.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7H,3-6H2;;/q3*-1;+2
InChIKeyUWQAFZKJFHTNMX-UHFFFAOYSA-N
MW404.06 g/mol
LogP6.25
Rot. Bonds

About bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate

bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate (PubChem CID 132778347) has the molecular formula C16H22BF4Rh- and a molecular weight of 404.06 g/mol. Its IUPAC name is bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate.

Molecular Properties

Compound Namebis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate
PubChem CID132778347
Molecular FormulaC16H22BF4Rh-
Molecular Weight404.06 g/mol
Exact Mass404.08
IUPAC Namebis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate
SMILESF[B-](F)(F)F.[C-]1=C\CCC=CCC/1.[C-]1=C\CCC=CCC/1.[Rh+2]
InChIInChI=1S/2C8H11.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7H,3-6H2;;/q3*-1;+2
InChIKeyUWQAFZKJFHTNMX-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.06
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate?
The IUPAC name of bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate (CID 132778347) is bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate.
What is the SMILES notation for bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate?
The canonical SMILES for bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate is F[B-](F)(F)F.[C-]1=C\CCC=CCC/1.[C-]1=C\CCC=CCC/1.[Rh+2].
What is the InChIKey of bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate?
The InChIKey is UWQAFZKJFHTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7H,3-6H2;;/q3*-1;+2.
What are the key properties of bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate?
bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate has a molecular weight of 404.06 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate is sourced from PubChem (CID 132778347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).