ethyl 2-diethylphosphorylacetate

C8H17O3P — CID 564639

IUPACethyl 2-diethylphosphorylacetate
SMILESCCOC(=O)CP(=O)(CC)CC
InChIInChI=1S/C8H17O3P/c1-4-11-8(9)7-12(10,5-2)6-3/h4-7H2,1-3H3
InChIKeyZUSJHFGNQQEALC-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.95
Rot. Bonds5

About ethyl 2-diethylphosphorylacetate

ethyl 2-diethylphosphorylacetate (PubChem CID 564639) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is ethyl 2-diethylphosphorylacetate.

Molecular Properties

Compound Nameethyl 2-diethylphosphorylacetate
PubChem CID564639
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Nameethyl 2-diethylphosphorylacetate
SMILESCCOC(=O)CP(=O)(CC)CC
InChIInChI=1S/C8H17O3P/c1-4-11-8(9)7-12(10,5-2)6-3/h4-7H2,1-3H3
InChIKeyZUSJHFGNQQEALC-UHFFFAOYSA-N
XLogP1.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-diethylphosphorylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-diethoxyphosphorylacetate
CID 10911236
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate
CID 178038484
ethyl 2-[ethoxy(formyl)phosphoryl]acetate
CID 59865519
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447
dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 44606055
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 11759356
alumane;ethyl propanoate
CID 174257559
ethyl 2-aminoacetate
CID 45039361
diethyl propanedioate;titanium
CID 174779178
ethyl propanoate;methane
CID 161360642
diethyl propanedioate;ethane
CID 123991095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethylphosphorylacetate?
The IUPAC name of ethyl 2-diethylphosphorylacetate (CID 564639) is ethyl 2-diethylphosphorylacetate.
What is the SMILES notation for ethyl 2-diethylphosphorylacetate?
The canonical SMILES for ethyl 2-diethylphosphorylacetate is CCOC(=O)CP(=O)(CC)CC.
What is the InChIKey of ethyl 2-diethylphosphorylacetate?
The InChIKey is ZUSJHFGNQQEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3P/c1-4-11-8(9)7-12(10,5-2)6-3/h4-7H2,1-3H3.
What are the key properties of ethyl 2-diethylphosphorylacetate?
ethyl 2-diethylphosphorylacetate has a molecular weight of 192.19 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethylphosphorylacetate is sourced from PubChem (CID 564639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).