diethoxyphosphoryl diethyl phosphate

C8H20O7P2 — CID 7873

IUPACdiethoxyphosphoryl diethyl phosphate
SMILESCCOP(=O)(OCC)OP(=O)(OCC)OCC
InChIInChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3
InChIKeyIDCBOTIENDVCBQ-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.37
Rot. Bonds10

About diethoxyphosphoryl diethyl phosphate

diethoxyphosphoryl diethyl phosphate (PubChem CID 7873) has the molecular formula C8H20O7P2 and a molecular weight of 290.19 g/mol. Its IUPAC name is diethoxyphosphoryl diethyl phosphate.

Molecular Properties

Compound Namediethoxyphosphoryl diethyl phosphate
PubChem CID7873
Molecular FormulaC8H20O7P2
Molecular Weight290.19 g/mol
Exact Mass290.07
IUPAC Namediethoxyphosphoryl diethyl phosphate
SMILESCCOP(=O)(OCC)OP(=O)(OCC)OCC
InChIInChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3
InChIKeyIDCBOTIENDVCBQ-UHFFFAOYSA-N
XLogP3.37
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Tributyl Phosphate
CID 31357
Triethyl Phosphate
CID 6535
Triisobutyl phosphate
CID 31355
Dibutyl phosphate
CID 7881
Hexaethyltetraphosphate
CID 12960
Tetraisopropyl methylenediphosphonate
CID 74266
Diphosphoric acid, tetrabutyl ester
CID 73861
Ethion monooxon
CID 197956
Tetraethyl methylenediphosphonate
CID 15455
Ethanol, 2-methoxy-, 1,1',1''-phosphate
CID 22542
Triisopropyl phosphate
CID 68188
Tetraethyl ethylenebisphosphonate
CID 70446

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl diethyl phosphate?
The IUPAC name of diethoxyphosphoryl diethyl phosphate (CID 7873) is diethoxyphosphoryl diethyl phosphate.
What is the SMILES notation for diethoxyphosphoryl diethyl phosphate?
The canonical SMILES for diethoxyphosphoryl diethyl phosphate is CCOP(=O)(OCC)OP(=O)(OCC)OCC.
What is the InChIKey of diethoxyphosphoryl diethyl phosphate?
The InChIKey is IDCBOTIENDVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3.
What are the key properties of diethoxyphosphoryl diethyl phosphate?
diethoxyphosphoryl diethyl phosphate has a molecular weight of 290.19 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl diethyl phosphate is sourced from PubChem (CID 7873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).