cyclohexylphosphane;dichloropalladium

C18H39Cl2P3Pd — CID 173009953

IUPACcyclohexylphosphane;dichloropalladium
SMILESCl[Pd]Cl.PC1CCCCC1.PC1CCCCC1.PC1CCCCC1
InChIInChI=1S/3C6H13P.2ClH.Pd/c3*7-6-4-2-1-3-5-6;;;/h3*6H,1-5,7H2;2*1H;/q;;;;;+2/p-2
InChIKeyIPTCVNXMYGYONF-UHFFFAOYSA-L
MW525.76 g/mol
LogP7.96
Rot. Bonds

About cyclohexylphosphane;dichloropalladium

cyclohexylphosphane;dichloropalladium (PubChem CID 173009953) has the molecular formula C18H39Cl2P3Pd and a molecular weight of 525.76 g/mol. Its IUPAC name is cyclohexylphosphane;dichloropalladium.

Molecular Properties

Compound Namecyclohexylphosphane;dichloropalladium
PubChem CID173009953
Molecular FormulaC18H39Cl2P3Pd
Molecular Weight525.76 g/mol
Exact Mass524.07
IUPAC Namecyclohexylphosphane;dichloropalladium
SMILESCl[Pd]Cl.PC1CCCCC1.PC1CCCCC1.PC1CCCCC1
InChIInChI=1S/3C6H13P.2ClH.Pd/c3*7-6-4-2-1-3-5-6;;;/h3*6H,1-5,7H2;2*1H;/q;;;;;+2/p-2
InChIKeyIPTCVNXMYGYONF-UHFFFAOYSA-L
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.76
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexylphosphane;dichloropalladium?
The IUPAC name of cyclohexylphosphane;dichloropalladium (CID 173009953) is cyclohexylphosphane;dichloropalladium.
What is the SMILES notation for cyclohexylphosphane;dichloropalladium?
The canonical SMILES for cyclohexylphosphane;dichloropalladium is Cl[Pd]Cl.PC1CCCCC1.PC1CCCCC1.PC1CCCCC1.
What is the InChIKey of cyclohexylphosphane;dichloropalladium?
The InChIKey is IPTCVNXMYGYONF-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H13P.2ClH.Pd/c3*7-6-4-2-1-3-5-6;;;/h3*6H,1-5,7H2;2*1H;/q;;;;;+2/p-2.
What are the key properties of cyclohexylphosphane;dichloropalladium?
cyclohexylphosphane;dichloropalladium has a molecular weight of 525.76 g/mol, XLogP of 7.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylphosphane;dichloropalladium is sourced from PubChem (CID 173009953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).