oxalic acid;platinum;bis(triethylphosphane);hydrate

C14H34O5P2Pt — CID 71311463

IUPACoxalic acid;platinum;bis(triethylphosphane);hydrate
SMILESCCP(CC)CC.CCP(CC)CC.O.O=C(O)C(=O)O.[Pt]
InChIInChI=1S/2C6H15P.C2H2O4.H2O.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);1H2;
InChIKeyFJDZXBLTLIXMTO-UHFFFAOYSA-N
MW539.45 g/mol
LogP3.38
Rot. Bonds6

About oxalic acid;platinum;bis(triethylphosphane);hydrate

oxalic acid;platinum;bis(triethylphosphane);hydrate (PubChem CID 71311463) has the molecular formula C14H34O5P2Pt and a molecular weight of 539.45 g/mol. Its IUPAC name is oxalic acid;platinum;bis(triethylphosphane);hydrate.

Molecular Properties

Compound Nameoxalic acid;platinum;bis(triethylphosphane);hydrate
PubChem CID71311463
Molecular FormulaC14H34O5P2Pt
Molecular Weight539.45 g/mol
Exact Mass539.15
IUPAC Nameoxalic acid;platinum;bis(triethylphosphane);hydrate
SMILESCCP(CC)CC.CCP(CC)CC.O.O=C(O)C(=O)O.[Pt]
InChIInChI=1S/2C6H15P.C2H2O4.H2O.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);1H2;
InChIKeyFJDZXBLTLIXMTO-UHFFFAOYSA-N
XLogP3.38
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.45
LogP ≤ 53.38
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(triethylphosphane);hydrate?
The IUPAC name of oxalic acid;platinum;bis(triethylphosphane);hydrate (CID 71311463) is oxalic acid;platinum;bis(triethylphosphane);hydrate.
What is the SMILES notation for oxalic acid;platinum;bis(triethylphosphane);hydrate?
The canonical SMILES for oxalic acid;platinum;bis(triethylphosphane);hydrate is CCP(CC)CC.CCP(CC)CC.O.O=C(O)C(=O)O.[Pt].
What is the InChIKey of oxalic acid;platinum;bis(triethylphosphane);hydrate?
The InChIKey is FJDZXBLTLIXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15P.C2H2O4.H2O.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);1H2;.
What are the key properties of oxalic acid;platinum;bis(triethylphosphane);hydrate?
oxalic acid;platinum;bis(triethylphosphane);hydrate has a molecular weight of 539.45 g/mol, XLogP of 3.38, 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(triethylphosphane);hydrate is sourced from PubChem (CID 71311463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).