dichloropalladium;bis(2-isocyano-2-methylpropane)

C10H18Cl2N2Pd — CID 166047730

IUPACdichloropalladium;bis(2-isocyano-2-methylpropane)
SMILESCl[Pd]Cl.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C
InChIInChI=1S/2C5H9N.2ClH.Pd/c2*1-5(2,3)6-4;;;/h2*1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyIAEOWCDGISANMK-UHFFFAOYSA-L
MW343.59 g/mol
LogP4.78
Rot. Bonds

About dichloropalladium;bis(2-isocyano-2-methylpropane)

dichloropalladium;bis(2-isocyano-2-methylpropane) (PubChem CID 166047730) has the molecular formula C10H18Cl2N2Pd and a molecular weight of 343.59 g/mol. Its IUPAC name is dichloropalladium;bis(2-isocyano-2-methylpropane).

Molecular Properties

Compound Namedichloropalladium;bis(2-isocyano-2-methylpropane)
PubChem CID166047730
Molecular FormulaC10H18Cl2N2Pd
Molecular Weight343.59 g/mol
Exact Mass341.99
IUPAC Namedichloropalladium;bis(2-isocyano-2-methylpropane)
SMILESCl[Pd]Cl.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C
InChIInChI=1S/2C5H9N.2ClH.Pd/c2*1-5(2,3)6-4;;;/h2*1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyIAEOWCDGISANMK-UHFFFAOYSA-L
XLogP4.78
TPSA8.72 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.59
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloropalladium;bis(2-isocyano-2-methylpropane)?
The IUPAC name of dichloropalladium;bis(2-isocyano-2-methylpropane) (CID 166047730) is dichloropalladium;bis(2-isocyano-2-methylpropane).
What is the SMILES notation for dichloropalladium;bis(2-isocyano-2-methylpropane)?
The canonical SMILES for dichloropalladium;bis(2-isocyano-2-methylpropane) is Cl[Pd]Cl.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.
What is the InChIKey of dichloropalladium;bis(2-isocyano-2-methylpropane)?
The InChIKey is IAEOWCDGISANMK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H9N.2ClH.Pd/c2*1-5(2,3)6-4;;;/h2*1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloropalladium;bis(2-isocyano-2-methylpropane)?
dichloropalladium;bis(2-isocyano-2-methylpropane) has a molecular weight of 343.59 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;bis(2-isocyano-2-methylpropane) is sourced from PubChem (CID 166047730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).