cyclopentylphosphane;dichloropalladium;bis(2-methylpropane)

C13H29Cl2PPd-2 — CID 164578408

IUPACcyclopentylphosphane;dichloropalladium;bis(2-methylpropane)
SMILESC[C-](C)C.C[C-](C)C.Cl[Pd]Cl.PC1CCCC1
InChIInChI=1S/C5H11P.2C4H9.2ClH.Pd/c6-5-3-1-2-4-5;2*1-4(2)3;;;/h5H,1-4,6H2;2*1-3H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyYMPKFEYIGSTVLF-UHFFFAOYSA-L
MW393.68 g/mol
LogP6.42
Rot. Bonds

About cyclopentylphosphane;dichloropalladium;bis(2-methylpropane)

cyclopentylphosphane;dichloropalladium;bis(2-methylpropane) (PubChem CID 164578408) has the molecular formula C13H29Cl2PPd-2 and a molecular weight of 393.68 g/mol. Its IUPAC name is cyclopentylphosphane;dichloropalladium;bis(2-methylpropane).

Molecular Properties

Compound Namecyclopentylphosphane;dichloropalladium;bis(2-methylpropane)
PubChem CID164578408
Molecular FormulaC13H29Cl2PPd-2
Molecular Weight393.68 g/mol
Exact Mass392.04
IUPAC Namecyclopentylphosphane;dichloropalladium;bis(2-methylpropane)
SMILESC[C-](C)C.C[C-](C)C.Cl[Pd]Cl.PC1CCCC1
InChIInChI=1S/C5H11P.2C4H9.2ClH.Pd/c6-5-3-1-2-4-5;2*1-4(2)3;;;/h5H,1-4,6H2;2*1-3H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyYMPKFEYIGSTVLF-UHFFFAOYSA-L
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.68
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopentylphosphane;dichloropalladium;bis(2-methylpropane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentylphosphane;dichloropalladium;bis(2-methylpropane)?
The IUPAC name of cyclopentylphosphane;dichloropalladium;bis(2-methylpropane) (CID 164578408) is cyclopentylphosphane;dichloropalladium;bis(2-methylpropane).
What is the SMILES notation for cyclopentylphosphane;dichloropalladium;bis(2-methylpropane)?
The canonical SMILES for cyclopentylphosphane;dichloropalladium;bis(2-methylpropane) is C[C-](C)C.C[C-](C)C.Cl[Pd]Cl.PC1CCCC1.
What is the InChIKey of cyclopentylphosphane;dichloropalladium;bis(2-methylpropane)?
The InChIKey is YMPKFEYIGSTVLF-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11P.2C4H9.2ClH.Pd/c6-5-3-1-2-4-5;2*1-4(2)3;;;/h5H,1-4,6H2;2*1-3H3;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of cyclopentylphosphane;dichloropalladium;bis(2-methylpropane)?
cyclopentylphosphane;dichloropalladium;bis(2-methylpropane) has a molecular weight of 393.68 g/mol, XLogP of 6.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylphosphane;dichloropalladium;bis(2-methylpropane) is sourced from PubChem (CID 164578408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).