bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride

C16H38Cl4O2P2Pd2 — CID 10211980

IUPACbis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride
SMILESCC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Pd+2].[Pd+2]
InChIInChI=1S/2C8H19OP.4ClH.2Pd/c2*1-7(2,3)10(9)8(4,5)6;;;;;;/h2*9H,1-6H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyWCPQPWHZOJIPEY-UHFFFAOYSA-J
MW679.08 g/mol
LogP-6.04
Rot. Bonds

About bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride

bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride (PubChem CID 10211980) has the molecular formula C16H38Cl4O2P2Pd2 and a molecular weight of 679.08 g/mol. Its IUPAC name is bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride.

Molecular Properties

Compound Namebis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride
PubChem CID10211980
Molecular FormulaC16H38Cl4O2P2Pd2
Molecular Weight679.08 g/mol
Exact Mass675.92
IUPAC Namebis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride
SMILESCC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Pd+2].[Pd+2]
InChIInChI=1S/2C8H19OP.4ClH.2Pd/c2*1-7(2,3)10(9)8(4,5)6;;;;;;/h2*9H,1-6H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKeyWCPQPWHZOJIPEY-UHFFFAOYSA-J
XLogP-6.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500679.08
LogP ≤ 5-6.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(ditert-butylphosphinous acid);palladium(2+);dichloride
CID 10228867
tert-butyl-fluoro-phosphanylidyne-λ5-phosphane
CID 89366840
1,1-dihydroxyethyl(dimethyl)azanium chloride
CID 87788114
indium(3+);methanol;trichloride
CID 175008883
bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)
CID 174928811
1-[tert-butyl(dimethylamino)phosphanyl]-N,N-dimethylmethanamine
CID 102022242
platinum;bis(tritert-butylphosphane)
CID 545169
ditert-butyl(2-ditert-butylphosphanylethyl)phosphane;nickel(2+);dichloride
CID 173080651
sodium;phosphorous acid;chloride
CID 157471033
palladium;tritert-butylphosphane;bromide
CID 71317307
1-[tert-butyl-[(dimethylamino)methyl]phosphanyl]-N,N-dimethylmethanamine
CID 12782593
ethane-1,1,1-triol;hydrochloride
CID 21272946

Frequently Asked Questions

What is the IUPAC name of bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride?
The IUPAC name of bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride (CID 10211980) is bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride.
What is the SMILES notation for bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride?
The canonical SMILES for bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride is CC(C)(C)P(O)C(C)(C)C.CC(C)(C)P(O)C(C)(C)C.[Cl-].[Cl-].[Cl-].[Cl-].[Pd+2].[Pd+2].
What is the InChIKey of bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride?
The InChIKey is WCPQPWHZOJIPEY-UHFFFAOYSA-J. The full InChI is InChI=1S/2C8H19OP.4ClH.2Pd/c2*1-7(2,3)10(9)8(4,5)6;;;;;;/h2*9H,1-6H3;4*1H;;/q;;;;;;2*+2/p-4.
What are the key properties of bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride?
bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride has a molecular weight of 679.08 g/mol, XLogP of -6.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ditert-butylphosphinous acid);bis(palladium(2+));tetrachloride is sourced from PubChem (CID 10211980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).