cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate

C16H22BF4Rh- — CID 160598465

IUPACcycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate
SMILESC1=CCCC=CCC1.Cc1cccc(C)c1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C8H10.C8H12.BF4.Rh/c1-7-4-3-5-8(2)6-7;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-6H,1-2H3;1-2,7-8H,3-6H2;;/q;;-1;
InChIKeySDWOVFOCFLRTKD-UHFFFAOYSA-N
MW404.06 g/mol
LogP6.27
Rot. Bonds

About cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate

cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate (PubChem CID 160598465) has the molecular formula C16H22BF4Rh- and a molecular weight of 404.06 g/mol. Its IUPAC name is cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate.

Molecular Properties

Compound Namecycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate
PubChem CID160598465
Molecular FormulaC16H22BF4Rh-
Molecular Weight404.06 g/mol
Exact Mass404.08
IUPAC Namecycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate
SMILESC1=CCCC=CCC1.Cc1cccc(C)c1.F[B-](F)(F)F.[Rh]
InChIInChI=1S/C8H10.C8H12.BF4.Rh/c1-7-4-3-5-8(2)6-7;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-6H,1-2H3;1-2,7-8H,3-6H2;;/q;;-1;
InChIKeySDWOVFOCFLRTKD-UHFFFAOYSA-N
XLogP6.27
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 ≤ 56.27
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;rhodium;1,3-xylene;tetrafluoroborate?
The IUPAC name of cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate (CID 160598465) is cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate.
What is the SMILES notation for cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate?
The canonical SMILES for cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate is C1=CCCC=CCC1.Cc1cccc(C)c1.F[B-](F)(F)F.[Rh].
What is the InChIKey of cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate?
The InChIKey is SDWOVFOCFLRTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C8H12.BF4.Rh/c1-7-4-3-5-8(2)6-7;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-6H,1-2H3;1-2,7-8H,3-6H2;;/q;;-1;.
What are the key properties of cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate?
cycloocta-1,5-diene;rhodium;1,3-xylene;tetrafluoroborate has a molecular weight of 404.06 g/mol, XLogP of 6.27, 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;1,3-xylene;tetrafluoroborate is sourced from PubChem (CID 160598465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).