copper;diethyl hydrogen phosphate

C4H11CuO4P — CID 174593393

IUPACcopper;diethyl hydrogen phosphate
SMILESCCOP(=O)(O)OCC.[Cu]
InChIInChI=1S/C4H11O4P.Cu/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);
InChIKeyDFNSRJVGGSENLM-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.16
Rot. Bonds4

About copper;diethyl hydrogen phosphate

copper;diethyl hydrogen phosphate (PubChem CID 174593393) has the molecular formula C4H11CuO4P and a molecular weight of 217.65 g/mol. Its IUPAC name is copper;diethyl hydrogen phosphate.

Molecular Properties

Compound Namecopper;diethyl hydrogen phosphate
PubChem CID174593393
Molecular FormulaC4H11CuO4P
Molecular Weight217.65 g/mol
Exact Mass216.97
IUPAC Namecopper;diethyl hydrogen phosphate
SMILESCCOP(=O)(O)OCC.[Cu]
InChIInChI=1S/C4H11O4P.Cu/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);
InChIKeyDFNSRJVGGSENLM-UHFFFAOYSA-N
XLogP1.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 174883301

Frequently Asked Questions

What is the IUPAC name of copper;diethyl hydrogen phosphate?
The IUPAC name of copper;diethyl hydrogen phosphate (CID 174593393) is copper;diethyl hydrogen phosphate.
What is the SMILES notation for copper;diethyl hydrogen phosphate?
The canonical SMILES for copper;diethyl hydrogen phosphate is CCOP(=O)(O)OCC.[Cu].
What is the InChIKey of copper;diethyl hydrogen phosphate?
The InChIKey is DFNSRJVGGSENLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.Cu/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);.
What are the key properties of copper;diethyl hydrogen phosphate?
copper;diethyl hydrogen phosphate has a molecular weight of 217.65 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;diethyl hydrogen phosphate is sourced from PubChem (CID 174593393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).