bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride

C32H76Cl2O4P4Pd2-2 — CID 131674722

IUPACbis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride
SMILESCC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P([O-])C(C)(C)C.CC(C)(C)P([O-])C(C)(C)C.Cl.Cl.[Pd].[Pd]
InChIInChI=1S/2C8H19OP.2C8H18OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h2*9H,1-6H3;2*1-6H3;2*1H;;/q;;2*-1;;;;
InChIKeyWJNABTRGRXAOEB-UHFFFAOYSA-N
MW932.60 g/mol
LogP11.47
Rot. Bonds

About bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride

bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride (PubChem CID 131674722) has the molecular formula C32H76Cl2O4P4Pd2-2 and a molecular weight of 932.60 g/mol. Its IUPAC name is bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride.

Molecular Properties

Compound Namebis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride
PubChem CID131674722
Molecular FormulaC32H76Cl2O4P4Pd2-2
Molecular Weight932.60 g/mol
Exact Mass930.22
IUPAC Namebis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride
SMILESCC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P([O-])C(C)(C)C.CC(C)(C)P([O-])C(C)(C)C.Cl.Cl.[Pd].[Pd]
InChIInChI=1S/2C8H19OP.2C8H18OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h2*9H,1-6H3;2*1-6H3;2*1H;;/q;;2*-1;;;;
InChIKeyWJNABTRGRXAOEB-UHFFFAOYSA-N
XLogP11.47
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.60
LogP ≤ 511.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride?
The IUPAC name of bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride (CID 131674722) is bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride.
What is the SMILES notation for bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride?
The canonical SMILES for bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride is CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P([O-])C(C)(C)C.CC(C)(C)P([O-])C(C)(C)C.Cl.Cl.[Pd].[Pd].
What is the InChIKey of bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride?
The InChIKey is WJNABTRGRXAOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H19OP.2C8H18OP.2ClH.2Pd/c4*1-7(2,3)10(9)8(4,5)6;;;;/h2*9H,1-6H3;2*1-6H3;2*1H;;/q;;2*-1;;;;.
What are the key properties of bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride?
bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride has a molecular weight of 932.60 g/mol, XLogP of 11.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ditert-butylphosphinite);bis(ditert-butylphosphinous acid);bis(palladium);dihydrochloride is sourced from PubChem (CID 131674722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).