copper bis(diethyl phosphate)

C8H20CuO8P2 — CID 23448356

IUPACcopper bis(diethyl phosphate)
SMILESCCOP(=O)([O-])OCC.CCOP(=O)([O-])OCC.[Cu+2]
InChIInChI=1S/2C4H11O4P.Cu/c2*1-3-7-9(5,6)8-4-2;/h2*3-4H2,1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyIVMWOIBXPXOUSW-UHFFFAOYSA-L
MW369.73 g/mol
LogP1.05
Rot. Bonds8

About copper bis(diethyl phosphate)

copper bis(diethyl phosphate) (PubChem CID 23448356) has the molecular formula C8H20CuO8P2 and a molecular weight of 369.73 g/mol. Its IUPAC name is copper bis(diethyl phosphate).

Molecular Properties

Compound Namecopper bis(diethyl phosphate)
PubChem CID23448356
Molecular FormulaC8H20CuO8P2
Molecular Weight369.73 g/mol
Exact Mass368.99
IUPAC Namecopper bis(diethyl phosphate)
SMILESCCOP(=O)([O-])OCC.CCOP(=O)([O-])OCC.[Cu+2]
InChIInChI=1S/2C4H11O4P.Cu/c2*1-3-7-9(5,6)8-4-2;/h2*3-4H2,1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyIVMWOIBXPXOUSW-UHFFFAOYSA-L
XLogP1.05
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium bis(diethyl phosphate)
CID 57370561
ethyl hydroxymethyl phosphate
CID 153073426
sodium ethyl methyl phosphate
CID 134607083
butylazanium;diethyl phosphate
CID 170458045
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
ethyl hexyl phosphate
CID 22057005
barium(2+);ethyl phosphate
CID 12691393
aluminum;triethyl phosphate;phosphate
CID 174993171
bis(4-methylpentyl) phosphate;chromium(3+);bis(diethyl phosphate)
CID 173454909
ethyl phosphate;N-methylmethanamine
CID 19985438
ethyl (tributylazaniumyl) phosphate
CID 154360962

Frequently Asked Questions

What is the IUPAC name of copper bis(diethyl phosphate)?
The IUPAC name of copper bis(diethyl phosphate) (CID 23448356) is copper bis(diethyl phosphate).
What is the SMILES notation for copper bis(diethyl phosphate)?
The canonical SMILES for copper bis(diethyl phosphate) is CCOP(=O)([O-])OCC.CCOP(=O)([O-])OCC.[Cu+2].
What is the InChIKey of copper bis(diethyl phosphate)?
The InChIKey is IVMWOIBXPXOUSW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H11O4P.Cu/c2*1-3-7-9(5,6)8-4-2;/h2*3-4H2,1-2H3,(H,5,6);/q;;+2/p-2.
What are the key properties of copper bis(diethyl phosphate)?
copper bis(diethyl phosphate) has a molecular weight of 369.73 g/mol, XLogP of 1.05, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(diethyl phosphate) is sourced from PubChem (CID 23448356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).