ethyl 2-[ethoxy(formyl)phosphoryl]acetate

C7H13O5P — CID 59865519

IUPACethyl 2-[ethoxy(formyl)phosphoryl]acetate
SMILESCCOC(=O)CP(=O)(C=O)OCC
InChIInChI=1S/C7H13O5P/c1-3-11-7(9)5-13(10,6-8)12-4-2/h6H,3-5H2,1-2H3
InChIKeyBHUJRPFOBBTUIV-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.05
Rot. Bonds6

About ethyl 2-[ethoxy(formyl)phosphoryl]acetate

ethyl 2-[ethoxy(formyl)phosphoryl]acetate (PubChem CID 59865519) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is ethyl 2-[ethoxy(formyl)phosphoryl]acetate.

Molecular Properties

Compound Nameethyl 2-[ethoxy(formyl)phosphoryl]acetate
PubChem CID59865519
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Nameethyl 2-[ethoxy(formyl)phosphoryl]acetate
SMILESCCOC(=O)CP(=O)(C=O)OCC
InChIInChI=1S/C7H13O5P/c1-3-11-7(9)5-13(10,6-8)12-4-2/h6H,3-5H2,1-2H3
InChIKeyBHUJRPFOBBTUIV-UHFFFAOYSA-N
XLogP1.05
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-diethoxyphosphorylacetate
CID 10911236
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
ethyl 2-diethylphosphorylacetate
CID 564639
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
diethyl propanedioate;ethane
CID 123991095
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 11759356
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494
ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate
CID 178038484
15-oxopentadecyl 2-diethoxyphosphorylacetate
CID 101499062
dimethylsulfanium;ethyl 2-bromoacetate
CID 22119103
alumane;ethyl 3-oxopropanoate
CID 173333802

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethoxy(formyl)phosphoryl]acetate?
The IUPAC name of ethyl 2-[ethoxy(formyl)phosphoryl]acetate (CID 59865519) is ethyl 2-[ethoxy(formyl)phosphoryl]acetate.
What is the SMILES notation for ethyl 2-[ethoxy(formyl)phosphoryl]acetate?
The canonical SMILES for ethyl 2-[ethoxy(formyl)phosphoryl]acetate is CCOC(=O)CP(=O)(C=O)OCC.
What is the InChIKey of ethyl 2-[ethoxy(formyl)phosphoryl]acetate?
The InChIKey is BHUJRPFOBBTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O5P/c1-3-11-7(9)5-13(10,6-8)12-4-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 2-[ethoxy(formyl)phosphoryl]acetate?
ethyl 2-[ethoxy(formyl)phosphoryl]acetate has a molecular weight of 208.15 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethoxy(formyl)phosphoryl]acetate is sourced from PubChem (CID 59865519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).