ethyl bis(methylperoxy)phosphorylformate

C5H11O7P — CID 54463004

IUPACethyl bis(methylperoxy)phosphorylformate
SMILESCCOC(=O)P(=O)(OOC)OOC
InChIInChI=1S/C5H11O7P/c1-4-10-5(6)13(7,11-8-2)12-9-3/h4H2,1-3H3
InChIKeyXCXPEHZQEGMHJL-UHFFFAOYSA-N
MW214.11 g/mol
LogP1.49
Rot. Bonds6

About ethyl bis(methylperoxy)phosphorylformate

ethyl bis(methylperoxy)phosphorylformate (PubChem CID 54463004) has the molecular formula C5H11O7P and a molecular weight of 214.11 g/mol. Its IUPAC name is ethyl bis(methylperoxy)phosphorylformate.

Molecular Properties

Compound Nameethyl bis(methylperoxy)phosphorylformate
PubChem CID54463004
Molecular FormulaC5H11O7P
Molecular Weight214.11 g/mol
Exact Mass214.02
IUPAC Nameethyl bis(methylperoxy)phosphorylformate
SMILESCCOC(=O)P(=O)(OOC)OOC
InChIInChI=1S/C5H11O7P/c1-4-10-5(6)13(7,11-8-2)12-9-3/h4H2,1-3H3
InChIKeyXCXPEHZQEGMHJL-UHFFFAOYSA-N
XLogP1.49
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 [ethoxy(2-sulfooxyethoxy)phosphoryl]formate
CID 156690326
ethyl [ethoxy(ethyl)phosphoryl]formate
CID 87463018
(2-ethoxy-1,1-dimethoxy-2-oxoethyl)phosphonic acid
CID 87331725
1,2-dimethoxyethane;ethyl acetate
CID 87198031
ethyl N-[bis(diethoxyphosphoryl)methylidene]carbamate
CID 134917403
ethyl bis(3-octadecylsulfanylpropoxy)phosphorylformate
CID 166909333
azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
CID 173456268
methyl N-bis(methylperoxy)phosphorylcarbonylcarbamate
CID 21415678
ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
butyl [butoxy(ethoxy)phosphoryl]formate
CID 91568211
[(E)-but-2-enyl] diethoxyphosphorylformate
CID 122649345

Frequently Asked Questions

What is the IUPAC name of ethyl bis(methylperoxy)phosphorylformate?
The IUPAC name of ethyl bis(methylperoxy)phosphorylformate (CID 54463004) is ethyl bis(methylperoxy)phosphorylformate.
What is the SMILES notation for ethyl bis(methylperoxy)phosphorylformate?
The canonical SMILES for ethyl bis(methylperoxy)phosphorylformate is CCOC(=O)P(=O)(OOC)OOC.
What is the InChIKey of ethyl bis(methylperoxy)phosphorylformate?
The InChIKey is XCXPEHZQEGMHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O7P/c1-4-10-5(6)13(7,11-8-2)12-9-3/h4H2,1-3H3.
What are the key properties of ethyl bis(methylperoxy)phosphorylformate?
ethyl bis(methylperoxy)phosphorylformate has a molecular weight of 214.11 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl bis(methylperoxy)phosphorylformate is sourced from PubChem (CID 54463004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).