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

C16H24B2F8Rh — CID 12028844

IUPACbis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.F[B-](F)(F)F.F[B-](F)(F)F.[Rh+2]
InChIInChI=1S/2C8H12.2BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2*2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;;/q;;2*-1;+2/b2*2-1-,8-7-;;;
InChIKeyKAKWCRFNALFDID-DIURZKMRSA-N
MW492.88 g/mol
LogP7.94
Rot. Bonds

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

bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate (PubChem CID 12028844) has the molecular formula C16H24B2F8Rh and a molecular weight of 492.88 g/mol. Its IUPAC name is bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate.

Molecular Properties

Compound Namebis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate
PubChem CID12028844
Molecular FormulaC16H24B2F8Rh
Molecular Weight492.88 g/mol
Exact Mass493.10
IUPAC Namebis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate
SMILESC1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.F[B-](F)(F)F.F[B-](F)(F)F.[Rh+2]
InChIInChI=1S/2C8H12.2BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2*2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;;/q;;2*-1;+2/b2*2-1-,8-7-;;;
InChIKeyKAKWCRFNALFDID-DIURZKMRSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.88
LogP ≤ 57.94
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 bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate?
The IUPAC name of bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate (CID 12028844) is bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate.
What is the SMILES notation for bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate?
The canonical SMILES for bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate is C1=C\CC/C=C\CC/1.C1=C\CC/C=C\CC/1.F[B-](F)(F)F.F[B-](F)(F)F.[Rh+2].
What is the InChIKey of bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate?
The InChIKey is KAKWCRFNALFDID-DIURZKMRSA-N. The full InChI is InChI=1S/2C8H12.2BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2*2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;;/q;;2*-1;+2/b2*2-1-,8-7-;;;.
What are the key properties of bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate?
bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate has a molecular weight of 492.88 g/mol, XLogP of 7.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1Z,5Z)-cycloocta-1,5-diene);rhodium(2+);ditetrafluoroborate is sourced from PubChem (CID 12028844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).