ethyl 2-diethoxyphosphorylacetate

C8H17O5P — CID 10911236

IUPACethyl 2-diethoxyphosphorylacetate
SMILESCCO[13C](=O)[13CH2]P(=O)(OCC)OCC
InChIInChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3/i7+1,8+1
InChIKeyGGUBFICZYGKNTD-BFGUONQLSA-N
MW226.18 g/mol
LogP1.82
Rot. Bonds7

About ethyl 2-diethoxyphosphorylacetate

ethyl 2-diethoxyphosphorylacetate (PubChem CID 10911236) has the molecular formula C8H17O5P and a molecular weight of 226.18 g/mol. Its IUPAC name is ethyl 2-diethoxyphosphorylacetate.

Molecular Properties

Compound Nameethyl 2-diethoxyphosphorylacetate
PubChem CID10911236
Molecular FormulaC8H17O5P
Molecular Weight226.18 g/mol
Exact Mass226.09
IUPAC Nameethyl 2-diethoxyphosphorylacetate
SMILESCCO[13C](=O)[13CH2]P(=O)(OCC)OCC
InChIInChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3/i7+1,8+1
InChIKeyGGUBFICZYGKNTD-BFGUONQLSA-N
XLogP1.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.82
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

ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 11759356
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
decyl 2-diethoxyphosphorylacetate
CID 87375988
ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate
CID 178038484
dodecyl 2-[dodecoxy(ethoxy)phosphoryl]acetate
CID 87327786
ethyl 2-[ethoxy(formyl)phosphoryl]acetate
CID 59865519
ethyl 2-diethylphosphorylacetate
CID 564639
15-oxopentadecyl 2-diethoxyphosphorylacetate
CID 101499062
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-diethoxyphosphorylacetate?
The IUPAC name of ethyl 2-diethoxyphosphorylacetate (CID 10911236) is ethyl 2-diethoxyphosphorylacetate.
What is the SMILES notation for ethyl 2-diethoxyphosphorylacetate?
The canonical SMILES for ethyl 2-diethoxyphosphorylacetate is CCO[13C](=O)[13CH2]P(=O)(OCC)OCC.
What is the InChIKey of ethyl 2-diethoxyphosphorylacetate?
The InChIKey is GGUBFICZYGKNTD-BFGUONQLSA-N. The full InChI is InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3/i7+1,8+1.
What are the key properties of ethyl 2-diethoxyphosphorylacetate?
ethyl 2-diethoxyphosphorylacetate has a molecular weight of 226.18 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-diethoxyphosphorylacetate is sourced from PubChem (CID 10911236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).