diethyl 2-oxopropyl phosphate

C7H15O5P — CID 14804965

IUPACdiethyl 2-oxopropyl phosphate
SMILESCCOP(=O)(OCC)OCC(C)=O
InChIInChI=1S/C7H15O5P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h4-6H2,1-3H3
InChIKeyJFTVGQMWWGTANK-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.77
Rot. Bonds7

About diethyl 2-oxopropyl phosphate

diethyl 2-oxopropyl phosphate (PubChem CID 14804965) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is diethyl 2-oxopropyl phosphate.

Molecular Properties

Compound Namediethyl 2-oxopropyl phosphate
PubChem CID14804965
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Namediethyl 2-oxopropyl phosphate
SMILESCCOP(=O)(OCC)OCC(C)=O
InChIInChI=1S/C7H15O5P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h4-6H2,1-3H3
InChIKeyJFTVGQMWWGTANK-UHFFFAOYSA-N
XLogP1.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Diethoxyphosphorylpropan-2-one
CID 14028
Hydroxyacetone phosphate
CID 150865
2-Oxopropyl trihydrogen diphosphate
CID 86022016
Dimethyl (3-methoxy-2-oxopropyl)phosphonate
CID 359298
2-Oxopropyl phosphate
CID 17869396
Diisopropoyl-fluorophosphate
CID 129718773
Dimethyl 3-oxobutan-2-yl phosphate
CID 252630
1-Dimethoxyphosphoryl-1-methoxypropan-2-one
CID 87461484
Acetylmethyl phosphinate
CID 121308980
Phosphodioxyaceton
CID 129632802
(1-Fluoro-2-oxopropyl) phosphate
CID 21127413
(1-Fluoro-2-oxopropyl) dimethyl phosphite
CID 100924706

Frequently Asked Questions

What is the IUPAC name of diethyl 2-oxopropyl phosphate?
The IUPAC name of diethyl 2-oxopropyl phosphate (CID 14804965) is diethyl 2-oxopropyl phosphate.
What is the SMILES notation for diethyl 2-oxopropyl phosphate?
The canonical SMILES for diethyl 2-oxopropyl phosphate is CCOP(=O)(OCC)OCC(C)=O.
What is the InChIKey of diethyl 2-oxopropyl phosphate?
The InChIKey is JFTVGQMWWGTANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-4-10-13(9,11-5-2)12-6-7(3)8/h4-6H2,1-3H3.
What are the key properties of diethyl 2-oxopropyl phosphate?
diethyl 2-oxopropyl phosphate has a molecular weight of 210.17 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-oxopropyl phosphate is sourced from PubChem (CID 14804965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).