1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate

C12H21F6N2O4PPd — CID 51051367

IUPAC1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F.[Pd+2]
InChIInChI=1S/C8H15N2.2C2H4O2.F6P.Pd/c1-3-4-5-10-7-6-9(2)8-10;2*1-2(3)4;1-7(2,3,4,5)6;/h6-8H,3-5H2,1-2H3;2*1H3,(H,3,4);;/q+1;;;-1;+2/p-2
InChIKeyOJOYGHTXKUEPND-UHFFFAOYSA-L
MW508.69 g/mol
LogP2.01
Rot. Bonds3

About 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate

1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate (PubChem CID 51051367) has the molecular formula C12H21F6N2O4PPd and a molecular weight of 508.69 g/mol. Its IUPAC name is 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate.

Molecular Properties

Compound Name1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate
PubChem CID51051367
Molecular FormulaC12H21F6N2O4PPd
Molecular Weight508.69 g/mol
Exact Mass508.02
IUPAC Name1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F.[Pd+2]
InChIInChI=1S/C8H15N2.2C2H4O2.F6P.Pd/c1-3-4-5-10-7-6-9(2)8-10;2*1-2(3)4;1-7(2,3,4,5)6;/h6-8H,3-5H2,1-2H3;2*1H3,(H,3,4);;/q+1;;;-1;+2/p-2
InChIKeyOJOYGHTXKUEPND-UHFFFAOYSA-L
XLogP2.01
TPSA89.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate
CID 175105794
1-hexyl-3-methylimidazol-3-ium;hydrogen carbonate
CID 71551842
1-decyl-3-methylimidazol-3-ium;tetradecanoate
CID 175540222
1-butyl-3-methylimidazol-3-ium;urea;chloride
CID 174948726
1-methyl-3-octylimidazol-1-ium;naphthalene;acetate
CID 161296622
1-methyl-3-nonylimidazol-1-ium;2,3,4,5,6-pentafluorobenzoate
CID 141403603
1-dodecyl-3-methylimidazol-3-ium;hydrogen sulfite
CID 142702549
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-methyl-3-propylimidazol-1-ium;oxalic acid;acetate
CID 175511800
docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508
1-butyl-3-methylimidazol-3-ium;dihydrogen phosphite
CID 87096076
1-butyl-3-methylimidazolium hexachlorophosphate
CID 139239305

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate?
The IUPAC name of 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate (CID 51051367) is 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate.
What is the SMILES notation for 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate?
The canonical SMILES for 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate is CC(=O)[O-].CC(=O)[O-].CCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F.[Pd+2].
What is the InChIKey of 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate?
The InChIKey is OJOYGHTXKUEPND-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H15N2.2C2H4O2.F6P.Pd/c1-3-4-5-10-7-6-9(2)8-10;2*1-2(3)4;1-7(2,3,4,5)6;/h6-8H,3-5H2,1-2H3;2*1H3,(H,3,4);;/q+1;;;-1;+2/p-2.
What are the key properties of 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate?
1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate has a molecular weight of 508.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate is sourced from PubChem (CID 51051367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).