dicesium;palladium;bis(tritert-butylphosphanium);carbonate

C25H56Cs2O3P2Pd+2 — CID 131733235

IUPACdicesium;palladium;bis(tritert-butylphosphanium);carbonate
SMILESCC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.O=C([O-])[O-].[Cs+].[Cs+].[Pd]
InChIInChI=1S/2C12H27P.CH2O3.2Cs.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3)4;;;/h2*1-9H3;(H2,2,3,4);;;/q;;;2*+1;
InChIKeyLXWJFSOVDXZKQO-UHFFFAOYSA-N
MW838.90 g/mol
LogP0.75
Rot. Bonds

About dicesium;palladium;bis(tritert-butylphosphanium);carbonate

dicesium;palladium;bis(tritert-butylphosphanium);carbonate (PubChem CID 131733235) has the molecular formula C25H56Cs2O3P2Pd+2 and a molecular weight of 838.90 g/mol. Its IUPAC name is dicesium;palladium;bis(tritert-butylphosphanium);carbonate.

Molecular Properties

Compound Namedicesium;palladium;bis(tritert-butylphosphanium);carbonate
PubChem CID131733235
Molecular FormulaC25H56Cs2O3P2Pd+2
Molecular Weight838.90 g/mol
Exact Mass838.08
IUPAC Namedicesium;palladium;bis(tritert-butylphosphanium);carbonate
SMILESCC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.O=C([O-])[O-].[Cs+].[Cs+].[Pd]
InChIInChI=1S/2C12H27P.CH2O3.2Cs.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3)4;;;/h2*1-9H3;(H2,2,3,4);;;/q;;;2*+1;
InChIKeyLXWJFSOVDXZKQO-UHFFFAOYSA-N
XLogP0.75
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500838.90
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropanoate;palladium
CID 146681285
strontium;palladium;carbonate
CID 87283579
cesium;lithium;carbonate;hydrate
CID 174795511
bis(methyltin(3+));tricarbonate
CID 161423309
dicesium;copper(1+);carbonate;iodide
CID 155885125
iodanium 2,2-dimethylpropanoate
CID 172810367
potassium 2,2-dimethylpropanoate
CID 23662159
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
tert-butyl(diethyl)phosphanium acetate
CID 160622651
plutonium dicarbonate
CID 22099017
bis(rhodium(3+));tricarbonate
CID 71471414
bis(gold(3+));tricarbonate
CID 56847861

Frequently Asked Questions

What is the IUPAC name of dicesium;palladium;bis(tritert-butylphosphanium);carbonate?
The IUPAC name of dicesium;palladium;bis(tritert-butylphosphanium);carbonate (CID 131733235) is dicesium;palladium;bis(tritert-butylphosphanium);carbonate.
What is the SMILES notation for dicesium;palladium;bis(tritert-butylphosphanium);carbonate?
The canonical SMILES for dicesium;palladium;bis(tritert-butylphosphanium);carbonate is CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.O=C([O-])[O-].[Cs+].[Cs+].[Pd].
What is the InChIKey of dicesium;palladium;bis(tritert-butylphosphanium);carbonate?
The InChIKey is LXWJFSOVDXZKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H27P.CH2O3.2Cs.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3)4;;;/h2*1-9H3;(H2,2,3,4);;;/q;;;2*+1;.
What are the key properties of dicesium;palladium;bis(tritert-butylphosphanium);carbonate?
dicesium;palladium;bis(tritert-butylphosphanium);carbonate has a molecular weight of 838.90 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;palladium;bis(tritert-butylphosphanium);carbonate is sourced from PubChem (CID 131733235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).