ethyl [ethoxy(ethyl)phosphoryl]formate

C7H15O4P — CID 87463018

IUPACethyl [ethoxy(ethyl)phosphoryl]formate
SMILESCCOC(=O)P(=O)(CC)OCC
InChIInChI=1S/C7H15O4P/c1-4-10-7(8)12(9,6-3)11-5-2/h4-6H2,1-3H3
InChIKeyONJCEKKCNYFNHG-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.48
Rot. Bonds5

About ethyl [ethoxy(ethyl)phosphoryl]formate

ethyl [ethoxy(ethyl)phosphoryl]formate (PubChem CID 87463018) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is ethyl [ethoxy(ethyl)phosphoryl]formate.

Molecular Properties

Compound Nameethyl [ethoxy(ethyl)phosphoryl]formate
PubChem CID87463018
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Nameethyl [ethoxy(ethyl)phosphoryl]formate
SMILESCCOC(=O)P(=O)(CC)OCC
InChIInChI=1S/C7H15O4P/c1-4-10-7(8)12(9,6-3)11-5-2/h4-6H2,1-3H3
InChIKeyONJCEKKCNYFNHG-UHFFFAOYSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-diethoxyphosphorylpentanoate
CID 6992997
ethyl 2-diethoxyphosphorylacetate
CID 10911236
ethyl bis(methylperoxy)phosphorylformate
CID 54463004
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
CID 87274277
CID 87274277
[ethoxy(methyl)phosphoryl]formamide
CID 174260075
ethyl [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
CID 156690326
diaminophosphoryloxyethane
CID 12620494
azane;carbamoyl(ethoxy)phosphinic acid
CID 12877611
ethyl 2-diethylphosphorylacetate
CID 564639
1-[ethoxy(fluoro)phosphoryl]oxyethane;fluorophosphonic acid
CID 87482421
ethyl methylsulfonylformate
CID 57252269

Frequently Asked Questions

What is the IUPAC name of ethyl [ethoxy(ethyl)phosphoryl]formate?
The IUPAC name of ethyl [ethoxy(ethyl)phosphoryl]formate (CID 87463018) is ethyl [ethoxy(ethyl)phosphoryl]formate.
What is the SMILES notation for ethyl [ethoxy(ethyl)phosphoryl]formate?
The canonical SMILES for ethyl [ethoxy(ethyl)phosphoryl]formate is CCOC(=O)P(=O)(CC)OCC.
What is the InChIKey of ethyl [ethoxy(ethyl)phosphoryl]formate?
The InChIKey is ONJCEKKCNYFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-4-10-7(8)12(9,6-3)11-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl [ethoxy(ethyl)phosphoryl]formate?
ethyl [ethoxy(ethyl)phosphoryl]formate has a molecular weight of 194.17 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [ethoxy(ethyl)phosphoryl]formate is sourced from PubChem (CID 87463018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).