oxalic acid;platinum;bis(triethylphosphanium)

C14H34O4P2Pt+2 — CID 6392363

IUPACoxalic acid;platinum;bis(triethylphosphanium)
SMILESCC[PH+](CC)CC.CC[PH+](CC)CC.O=C(O)C(=O)O.[Pt]
InChIInChI=1S/2C6H15P.C2H2O4.Pt/c2*1-4-7(5-2)6-3;3-1(4)2(5)6;/h2*4-6H2,1-3H3;(H,3,4)(H,5,6);/p+2
InChIKeyKTHKIJWUASUYGT-UHFFFAOYSA-P
MW523.45 g/mol
LogP3.67
Rot. Bonds6

About oxalic acid;platinum;bis(triethylphosphanium)

oxalic acid;platinum;bis(triethylphosphanium) (PubChem CID 6392363) has the molecular formula C14H34O4P2Pt+2 and a molecular weight of 523.45 g/mol. Its IUPAC name is oxalic acid;platinum;bis(triethylphosphanium).

Molecular Properties

Compound Nameoxalic acid;platinum;bis(triethylphosphanium)
PubChem CID6392363
Molecular FormulaC14H34O4P2Pt+2
Molecular Weight523.45 g/mol
Exact Mass523.16
IUPAC Nameoxalic acid;platinum;bis(triethylphosphanium)
SMILESCC[PH+](CC)CC.CC[PH+](CC)CC.O=C(O)C(=O)O.[Pt]
InChIInChI=1S/2C6H15P.C2H2O4.Pt/c2*1-4-7(5-2)6-3;3-1(4)2(5)6;/h2*4-6H2,1-3H3;(H,3,4)(H,5,6);/p+2
InChIKeyKTHKIJWUASUYGT-UHFFFAOYSA-P
XLogP3.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;platinum;bis(triethylphosphanium)?
The IUPAC name of oxalic acid;platinum;bis(triethylphosphanium) (CID 6392363) is oxalic acid;platinum;bis(triethylphosphanium).
What is the SMILES notation for oxalic acid;platinum;bis(triethylphosphanium)?
The canonical SMILES for oxalic acid;platinum;bis(triethylphosphanium) is CC[PH+](CC)CC.CC[PH+](CC)CC.O=C(O)C(=O)O.[Pt].
What is the InChIKey of oxalic acid;platinum;bis(triethylphosphanium)?
The InChIKey is KTHKIJWUASUYGT-UHFFFAOYSA-P. The full InChI is InChI=1S/2C6H15P.C2H2O4.Pt/c2*1-4-7(5-2)6-3;3-1(4)2(5)6;/h2*4-6H2,1-3H3;(H,3,4)(H,5,6);/p+2.
What are the key properties of oxalic acid;platinum;bis(triethylphosphanium)?
oxalic acid;platinum;bis(triethylphosphanium) has a molecular weight of 523.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;platinum;bis(triethylphosphanium) is sourced from PubChem (CID 6392363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).