diethoxyphosphanyl diethyl phosphate

C8H20O6P2 — CID 12684

IUPACdiethoxyphosphanyl diethyl phosphate
SMILESCCOP(OCC)OP(=O)(OCC)OCC
InChIInChI=1S/C8H20O6P2/c1-5-10-15(11-6-2)14-16(9,12-7-3)13-8-4/h5-8H2,1-4H3
InChIKeyCFQUMKJJLXSKET-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.48
Rot. Bonds10

About diethoxyphosphanyl diethyl phosphate

diethoxyphosphanyl diethyl phosphate (PubChem CID 12684) has the molecular formula C8H20O6P2 and a molecular weight of 274.19 g/mol. Its IUPAC name is diethoxyphosphanyl diethyl phosphate.

Molecular Properties

Compound Namediethoxyphosphanyl diethyl phosphate
PubChem CID12684
Molecular FormulaC8H20O6P2
Molecular Weight274.19 g/mol
Exact Mass274.07
IUPAC Namediethoxyphosphanyl diethyl phosphate
SMILESCCOP(OCC)OP(=O)(OCC)OCC
InChIInChI=1S/C8H20O6P2/c1-5-10-15(11-6-2)14-16(9,12-7-3)13-8-4/h5-8H2,1-4H3
InChIKeyCFQUMKJJLXSKET-UHFFFAOYSA-N
XLogP3.48
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphanyl diethyl phosphate?
The IUPAC name of diethoxyphosphanyl diethyl phosphate (CID 12684) is diethoxyphosphanyl diethyl phosphate.
What is the SMILES notation for diethoxyphosphanyl diethyl phosphate?
The canonical SMILES for diethoxyphosphanyl diethyl phosphate is CCOP(OCC)OP(=O)(OCC)OCC.
What is the InChIKey of diethoxyphosphanyl diethyl phosphate?
The InChIKey is CFQUMKJJLXSKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O6P2/c1-5-10-15(11-6-2)14-16(9,12-7-3)13-8-4/h5-8H2,1-4H3.
What are the key properties of diethoxyphosphanyl diethyl phosphate?
diethoxyphosphanyl diethyl phosphate has a molecular weight of 274.19 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphanyl diethyl phosphate is sourced from PubChem (CID 12684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).