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

C16H24BF4Rh- — CID 74787731

IUPACbis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate
SMILESC1=CCC/C=C\CC1.C1=CCC/C=C\CC1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7?;;
InChIKeyLYXHWHHENVLYCN-XNTCSZLUSA-N
MW406.08 g/mol
LogP6.64
Rot. Bonds

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

bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate (PubChem CID 74787731) has the molecular formula C16H24BF4Rh- and a molecular weight of 406.08 g/mol. Its IUPAC name is bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate.

Molecular Properties

Compound Namebis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate
PubChem CID74787731
Molecular FormulaC16H24BF4Rh-
Molecular Weight406.08 g/mol
Exact Mass406.10
IUPAC Namebis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate
SMILESC1=CCC/C=C\CC1.C1=CCC/C=C\CC1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7?;;
InChIKeyLYXHWHHENVLYCN-XNTCSZLUSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.08
LogP ≤ 56.64
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((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate?
The IUPAC name of bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate (CID 74787731) is bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate.
What is the SMILES notation for bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate?
The canonical SMILES for bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate is C1=CCC/C=C\CC1.C1=CCC/C=C\CC1.F[B-](F)(F)F.[Rh].
What is the InChIKey of bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate?
The InChIKey is LYXHWHHENVLYCN-XNTCSZLUSA-N. The full InChI is InChI=1S/2C8H12.BF4.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7?;;.
What are the key properties of bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate?
bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate has a molecular weight of 406.08 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate is sourced from PubChem (CID 74787731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).