cycloocta-1,5-diene;rhodium;tetrafluoroborate

C8H12BF4Rh- — CID 11380970

IUPACcycloocta-1,5-diene;rhodium;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[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;
InChIKeyYUGUBQRHOXNGIQ-UHFFFAOYSA-N
MW297.89 g/mol
LogP3.97
Rot. Bonds

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

cycloocta-1,5-diene;rhodium;tetrafluoroborate (PubChem CID 11380970) has the molecular formula C8H12BF4Rh- and a molecular weight of 297.89 g/mol. Its IUPAC name is cycloocta-1,5-diene;rhodium;tetrafluoroborate.

Molecular Properties

Compound Namecycloocta-1,5-diene;rhodium;tetrafluoroborate
PubChem CID11380970
Molecular FormulaC8H12BF4Rh-
Molecular Weight297.89 g/mol
Exact Mass298.00
IUPAC Namecycloocta-1,5-diene;rhodium;tetrafluoroborate
SMILESC1=CCCC=CCC1.F[B-](F)(F)F.[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;
InChIKeyYUGUBQRHOXNGIQ-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 53.97
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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Related Compounds

Rhodium(1+), bis((1,2,5,6-eta)-1,5-cyclooctadiene)-, tetrafluoroborate(1-) (1:1)
CID 5702662
Bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
CID 2734867
bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate
CID 12028844
CID 72970824
CID 72970824
Bis(1,5-cyclooctadiene)rhodium(I)tetrafluoroborate
CID 74787731
Rhodium 1,5-cyclooctadiene tetrafluoroboric acid
CID 86627670
(2E,5E)-hepta-2,5-diene;rhodium;tetrafluoroborate
CID 88329399
(1Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
CID 88414100
(1Z)-cycloocta-1,5-diene;rhodium(3+);ditetrafluoroborate
CID 88414101
Bis(cycloocta-1,5-diene);rhodium(2+);tetrafluoroborate
CID 132778347
Cycloocta-1,5-diene tetrafluoroborate
CID 157198670
Cycloocta-1,5-diene;hydron;tetrafluoroborate
CID 157198671

Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The IUPAC name of cycloocta-1,5-diene;rhodium;tetrafluoroborate (CID 11380970) is cycloocta-1,5-diene;rhodium;tetrafluoroborate.
What is the SMILES notation for cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The canonical SMILES for cycloocta-1,5-diene;rhodium;tetrafluoroborate is C1=CCCC=CCC1.F[B-](F)(F)F.[Rh].
What is the InChIKey of cycloocta-1,5-diene;rhodium;tetrafluoroborate?
The InChIKey is YUGUBQRHOXNGIQ-UHFFFAOYSA-N. 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;.
What are the key properties of cycloocta-1,5-diene;rhodium;tetrafluoroborate?
cycloocta-1,5-diene;rhodium;tetrafluoroborate has a molecular weight of 297.89 g/mol, XLogP of 3.97, 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;rhodium;tetrafluoroborate is sourced from PubChem (CID 11380970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).