ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate

C8H17O6P — CID 87652447

IUPACethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
SMILESCCOOP(=O)(CC(=O)OCC)OCC
InChIInChI=1S/C8H17O6P/c1-4-11-8(9)7-15(10,13-6-3)14-12-5-2/h4-7H2,1-3H3
InChIKeyAZNDIUJYANBUPW-UHFFFAOYSA-N
MW240.19 g/mol
LogP1.75
Rot. Bonds8

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

ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate (PubChem CID 87652447) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate.

Molecular Properties

Compound Nameethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
PubChem CID87652447
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Nameethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
SMILESCCOOP(=O)(CC(=O)OCC)OCC
InChIInChI=1S/C8H17O6P/c1-4-11-8(9)7-15(10,13-6-3)14-12-5-2/h4-7H2,1-3H3
InChIKeyAZNDIUJYANBUPW-UHFFFAOYSA-N
XLogP1.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-diethoxyphosphorylacetate
CID 10911236
ethyl 3-bis(ethylperoxy)phosphorylpropanoate
CID 114986799
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
ethyl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]acetate
CID 178038484
ethyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate
CID 11759356
diethoxy ethyl phosphate
CID 22136775
ethyl 2-[ethoxy(formyl)phosphoryl]acetate
CID 59865519
decyl 2-diethoxyphosphorylacetate
CID 87375988
ethyl 2-diethylphosphorylacetate
CID 564639
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707
dodecyl 2-[dodecoxy(ethoxy)phosphoryl]acetate
CID 87327786

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate?
The IUPAC name of ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate (CID 87652447) is ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate.
What is the SMILES notation for ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate?
The canonical SMILES for ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate is CCOOP(=O)(CC(=O)OCC)OCC.
What is the InChIKey of ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate?
The InChIKey is AZNDIUJYANBUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O6P/c1-4-11-8(9)7-15(10,13-6-3)14-12-5-2/h4-7H2,1-3H3.
What are the key properties of ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate?
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate has a molecular weight of 240.19 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate is sourced from PubChem (CID 87652447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).