ditert-butyl(chloro)phosphane;dichloropalladium

C8H18Cl3PPd — CID 87329944

IUPACditert-butyl(chloro)phosphane;dichloropalladium
SMILESCC(C)(C)P(Cl)C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/C8H18ClP.2ClH.Pd/c1-7(2,3)10(9)8(4,5)6;;;/h1-6H3;2*1H;/q;;;+2/p-2
InChIKeyQXRKNOFLRCHELE-UHFFFAOYSA-L
MW357.99 g/mol
LogP5.60
Rot. Bonds

About ditert-butyl(chloro)phosphane;dichloropalladium

ditert-butyl(chloro)phosphane;dichloropalladium (PubChem CID 87329944) has the molecular formula C8H18Cl3PPd and a molecular weight of 357.99 g/mol. Its IUPAC name is ditert-butyl(chloro)phosphane;dichloropalladium.

Molecular Properties

Compound Nameditert-butyl(chloro)phosphane;dichloropalladium
PubChem CID87329944
Molecular FormulaC8H18Cl3PPd
Molecular Weight357.99 g/mol
Exact Mass355.92
IUPAC Nameditert-butyl(chloro)phosphane;dichloropalladium
SMILESCC(C)(C)P(Cl)C(C)(C)C.Cl[Pd]Cl
InChIInChI=1S/C8H18ClP.2ClH.Pd/c1-7(2,3)10(9)8(4,5)6;;;/h1-6H3;2*1H;/q;;;+2/p-2
InChIKeyQXRKNOFLRCHELE-UHFFFAOYSA-L
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.99
LogP ≤ 55.60
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 ditert-butyl(chloro)phosphane;dichloropalladium?
The IUPAC name of ditert-butyl(chloro)phosphane;dichloropalladium (CID 87329944) is ditert-butyl(chloro)phosphane;dichloropalladium.
What is the SMILES notation for ditert-butyl(chloro)phosphane;dichloropalladium?
The canonical SMILES for ditert-butyl(chloro)phosphane;dichloropalladium is CC(C)(C)P(Cl)C(C)(C)C.Cl[Pd]Cl.
What is the InChIKey of ditert-butyl(chloro)phosphane;dichloropalladium?
The InChIKey is QXRKNOFLRCHELE-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H18ClP.2ClH.Pd/c1-7(2,3)10(9)8(4,5)6;;;/h1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of ditert-butyl(chloro)phosphane;dichloropalladium?
ditert-butyl(chloro)phosphane;dichloropalladium has a molecular weight of 357.99 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl(chloro)phosphane;dichloropalladium is sourced from PubChem (CID 87329944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).