bis(tert-butyl(chloro)phosphane);dichloropalladium

C8H20Cl4P2Pd — CID 87573042

IUPACbis(tert-butyl(chloro)phosphane);dichloropalladium
SMILESCC(C)(C)PCl.CC(C)(C)PCl.Cl[Pd]Cl
InChIInChI=1S/2C4H10ClP.2ClH.Pd/c2*1-4(2,3)6-5;;;/h2*6H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyBTKKBMGGCVFFQG-UHFFFAOYSA-L
MW426.43 g/mol
LogP6.61
Rot. Bonds

About bis(tert-butyl(chloro)phosphane);dichloropalladium

bis(tert-butyl(chloro)phosphane);dichloropalladium (PubChem CID 87573042) has the molecular formula C8H20Cl4P2Pd and a molecular weight of 426.43 g/mol. Its IUPAC name is bis(tert-butyl(chloro)phosphane);dichloropalladium.

Molecular Properties

Compound Namebis(tert-butyl(chloro)phosphane);dichloropalladium
PubChem CID87573042
Molecular FormulaC8H20Cl4P2Pd
Molecular Weight426.43 g/mol
Exact Mass423.88
IUPAC Namebis(tert-butyl(chloro)phosphane);dichloropalladium
SMILESCC(C)(C)PCl.CC(C)(C)PCl.Cl[Pd]Cl
InChIInChI=1S/2C4H10ClP.2ClH.Pd/c2*1-4(2,3)6-5;;;/h2*6H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyBTKKBMGGCVFFQG-UHFFFAOYSA-L
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.43
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl(chloro)phosphane;palladium
CID 174619180
dichloropalladium;bis(dimethylphosphane)
CID 141304854
dichloropalladium
CID 24290
ditert-butyl(chloro)phosphane;dichloropalladium
CID 87329944
dichloropalladium;bis(2-isocyano-2-methylpropane)
CID 166047730
dichloropalladium;tetrachloromethane
CID 175018701
sodium;dichloropalladium;hydroxide
CID 175464060
disodium;chloromethane;sulfide
CID 175474867
dichlorophosphane;nickel
CID 174854744
chloromethane;2,2-dimethylpropane
CID 142899692
dichlorophosphane;palladium
CID 174339832
dichloropalladium;bis(trimethylphosphane)
CID 10947470

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl(chloro)phosphane);dichloropalladium?
The IUPAC name of bis(tert-butyl(chloro)phosphane);dichloropalladium (CID 87573042) is bis(tert-butyl(chloro)phosphane);dichloropalladium.
What is the SMILES notation for bis(tert-butyl(chloro)phosphane);dichloropalladium?
The canonical SMILES for bis(tert-butyl(chloro)phosphane);dichloropalladium is CC(C)(C)PCl.CC(C)(C)PCl.Cl[Pd]Cl.
What is the InChIKey of bis(tert-butyl(chloro)phosphane);dichloropalladium?
The InChIKey is BTKKBMGGCVFFQG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H10ClP.2ClH.Pd/c2*1-4(2,3)6-5;;;/h2*6H,1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of bis(tert-butyl(chloro)phosphane);dichloropalladium?
bis(tert-butyl(chloro)phosphane);dichloropalladium has a molecular weight of 426.43 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl(chloro)phosphane);dichloropalladium is sourced from PubChem (CID 87573042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).