chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)

CH3ClO5P2Pd+2 — CID 88679480

IUPACchloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)
SMILESCCl.O=[P+]([O-])O[P+](=O)[O-].[Pd+2]
InChIInChI=1S/CH3Cl.O5P2.Pd/c1-2;1-6(2)5-7(3)4;/h1H3;;/q;;+2
InChIKeyVDEODCAFFNAJER-UHFFFAOYSA-N
MW298.85 g/mol
LogP-0.11
Rot. Bonds2

About chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)

chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+) (PubChem CID 88679480) has the molecular formula CH3ClO5P2Pd+2 and a molecular weight of 298.85 g/mol. Its IUPAC name is chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+).

Molecular Properties

Compound Namechloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)
PubChem CID88679480
Molecular FormulaCH3ClO5P2Pd+2
Molecular Weight298.85 g/mol
Exact Mass297.82
IUPAC Namechloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)
SMILESCCl.O=[P+]([O-])O[P+](=O)[O-].[Pd+2]
InChIInChI=1S/CH3Cl.O5P2.Pd/c1-2;1-6(2)5-7(3)4;/h1H3;;/q;;+2
InChIKeyVDEODCAFFNAJER-UHFFFAOYSA-N
XLogP-0.11
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.85
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)?
The IUPAC name of chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+) (CID 88679480) is chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+).
What is the SMILES notation for chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)?
The canonical SMILES for chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+) is CCl.O=[P+]([O-])O[P+](=O)[O-].[Pd+2].
What is the InChIKey of chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)?
The InChIKey is VDEODCAFFNAJER-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl.O5P2.Pd/c1-2;1-6(2)5-7(3)4;/h1H3;;/q;;+2.
What are the key properties of chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+)?
chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+) has a molecular weight of 298.85 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;oxido-oxo-phosphooxyphosphanium;palladium(2+) is sourced from PubChem (CID 88679480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).