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

C8H12B2F8Pd — CID 173319939

IUPAC(5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate
SMILESC1=CCC/C=C\CC1.F[B-](F)(F)F.F[B-](F)(F)F.[Pd+2]
InChIInChI=1S/C8H12.2BF4.Pd/c1-2-4-6-8-7-5-3-1;2*2-1(3,4)5;/h1-2,7-8H,3-6H2;;;/q;2*-1;+2/b2-1-,8-7?;;;
InChIKeyOUWKLHBCENFZOE-PGUQZTAYSA-N
MW388.21 g/mol
LogP5.27
Rot. Bonds

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

(5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate (PubChem CID 173319939) has the molecular formula C8H12B2F8Pd and a molecular weight of 388.21 g/mol. Its IUPAC name is (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate.

Molecular Properties

Compound Name(5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate
PubChem CID173319939
Molecular FormulaC8H12B2F8Pd
Molecular Weight388.21 g/mol
Exact Mass388.00
IUPAC Name(5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate
SMILESC1=CCC/C=C\CC1.F[B-](F)(F)F.F[B-](F)(F)F.[Pd+2]
InChIInChI=1S/C8H12.2BF4.Pd/c1-2-4-6-8-7-5-3-1;2*2-1(3,4)5;/h1-2,7-8H,3-6H2;;;/q;2*-1;+2/b2-1-,8-7?;;;
InChIKeyOUWKLHBCENFZOE-PGUQZTAYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.21
LogP ≤ 55.27
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 (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate?
The IUPAC name of (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate (CID 173319939) is (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate.
What is the SMILES notation for (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate?
The canonical SMILES for (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate is C1=CCC/C=C\CC1.F[B-](F)(F)F.F[B-](F)(F)F.[Pd+2].
What is the InChIKey of (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate?
The InChIKey is OUWKLHBCENFZOE-PGUQZTAYSA-N. The full InChI is InChI=1S/C8H12.2BF4.Pd/c1-2-4-6-8-7-5-3-1;2*2-1(3,4)5;/h1-2,7-8H,3-6H2;;;/q;2*-1;+2/b2-1-,8-7?;;;.
What are the key properties of (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate?
(5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate has a molecular weight of 388.21 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-cycloocta-1,5-diene;palladium(2+);ditetrafluoroborate is sourced from PubChem (CID 173319939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).