ethoxy-hydroperoxy-oxophosphanium

C2H6O4P+ — CID 87891677

IUPACethoxy-hydroperoxy-oxophosphanium
SMILESCCO[P+](=O)OO
InChIInChI=1S/C2H5O4P/c1-2-5-7(4)6-3/h2H2,1H3/p+1
InChIKeyKUGMGSJWPFVRMV-UHFFFAOYSA-O
MW125.04 g/mol
LogP1.17
Rot. Bonds3

About ethoxy-hydroperoxy-oxophosphanium

ethoxy-hydroperoxy-oxophosphanium (PubChem CID 87891677) has the molecular formula C2H6O4P+ and a molecular weight of 125.04 g/mol. Its IUPAC name is ethoxy-hydroperoxy-oxophosphanium.

Molecular Properties

Compound Nameethoxy-hydroperoxy-oxophosphanium
PubChem CID87891677
Molecular FormulaC2H6O4P+
Molecular Weight125.04 g/mol
Exact Mass125.00
IUPAC Nameethoxy-hydroperoxy-oxophosphanium
SMILESCCO[P+](=O)OO
InChIInChI=1S/C2H5O4P/c1-2-5-7(4)6-3/h2H2,1H3/p+1
InChIKeyKUGMGSJWPFVRMV-UHFFFAOYSA-O
XLogP1.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.04
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

CID 157268042
CID 157268042
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
sodium;diethoxy(oxo)phosphanium;hydride
CID 173097047
magnesium;ethoxy-methoxy-oxophosphanium;hydride
CID 175376011
CID 158506606
CID 158506606
hydroperoxy-(methylaminomethoxy)-oxophosphanium
CID 58944947
diethoxy(oxo)phosphanium;1,4-xylene
CID 68978726
lithium;ethoxy-methoxycarbonyloxy-oxophosphanium;hydride
CID 175403249
bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium
CID 16684782
buta-1,3-diene;diethoxy(oxo)phosphanium
CID 88766369
ethoxy-methoxy-oxophosphanium;2-methylprop-2-enoic acid
CID 175582823
CID 6368648
CID 6368648

Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroperoxy-oxophosphanium?
The IUPAC name of ethoxy-hydroperoxy-oxophosphanium (CID 87891677) is ethoxy-hydroperoxy-oxophosphanium.
What is the SMILES notation for ethoxy-hydroperoxy-oxophosphanium?
The canonical SMILES for ethoxy-hydroperoxy-oxophosphanium is CCO[P+](=O)OO.
What is the InChIKey of ethoxy-hydroperoxy-oxophosphanium?
The InChIKey is KUGMGSJWPFVRMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O4P/c1-2-5-7(4)6-3/h2H2,1H3/p+1.
What are the key properties of ethoxy-hydroperoxy-oxophosphanium?
ethoxy-hydroperoxy-oxophosphanium has a molecular weight of 125.04 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroperoxy-oxophosphanium is sourced from PubChem (CID 87891677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).