ethyl-hydroperoxy-oxophosphanium

C2H6O3P+ — CID 59017728

IUPACethyl-hydroperoxy-oxophosphanium
SMILESCC[P+](=O)OO
InChIInChI=1S/C2H5O3P/c1-2-6(4)5-3/h2H2,1H3/p+1
InChIKeyWMRNMMOMLGCNIZ-UHFFFAOYSA-O
MW109.04 g/mol
LogP1.24
Rot. Bonds2

About ethyl-hydroperoxy-oxophosphanium

ethyl-hydroperoxy-oxophosphanium (PubChem CID 59017728) has the molecular formula C2H6O3P+ and a molecular weight of 109.04 g/mol. Its IUPAC name is ethyl-hydroperoxy-oxophosphanium.

Molecular Properties

Compound Nameethyl-hydroperoxy-oxophosphanium
PubChem CID59017728
Molecular FormulaC2H6O3P+
Molecular Weight109.04 g/mol
Exact Mass109.00
IUPAC Nameethyl-hydroperoxy-oxophosphanium
SMILESCC[P+](=O)OO
InChIInChI=1S/C2H5O3P/c1-2-6(4)5-3/h2H2,1H3/p+1
InChIKeyWMRNMMOMLGCNIZ-UHFFFAOYSA-O
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.04
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

hydroperoxy-methyl-oxophosphanium
CID 18335943
alumane;ethyl-oxo-phosphonooxyphosphanium
CID 174058840
ethoxy-hydroperoxy-oxophosphanium
CID 87891677
ethyl-(2-methylpropanoyloxy)-oxophosphanium
CID 175345957
hydroperoxy-oxo-prop-2-enylphosphanium
CID 87520848
butane;hydroperoxymethane
CID 142008875
ethyl-hydroxy-oxophosphanium;dihydrochloride
CID 88745268
hydroperoxy-(methylaminomethoxy)-oxophosphanium
CID 58944947
calcium;ethyl-hydroxy-oxophosphanium;hydride
CID 174736026
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
diethylamino-methoxy-oxophosphanium
CID 15437034
2-hydroxyethyl-methoxy-oxophosphanium
CID 118907255

Frequently Asked Questions

What is the IUPAC name of ethyl-hydroperoxy-oxophosphanium?
The IUPAC name of ethyl-hydroperoxy-oxophosphanium (CID 59017728) is ethyl-hydroperoxy-oxophosphanium.
What is the SMILES notation for ethyl-hydroperoxy-oxophosphanium?
The canonical SMILES for ethyl-hydroperoxy-oxophosphanium is CC[P+](=O)OO.
What is the InChIKey of ethyl-hydroperoxy-oxophosphanium?
The InChIKey is WMRNMMOMLGCNIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O3P/c1-2-6(4)5-3/h2H2,1H3/p+1.
What are the key properties of ethyl-hydroperoxy-oxophosphanium?
ethyl-hydroperoxy-oxophosphanium has a molecular weight of 109.04 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroperoxy-oxophosphanium is sourced from PubChem (CID 59017728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).