di(ethoxy)-oxophosphanium

C4H8O3P+3 — CID 123266321

IUPACdi(ethoxy)-oxophosphanium
SMILES[CH2+]CO[P+](=O)OC[CH2+]
InChIInChI=1S/C4H8O3P/c1-3-6-8(5)7-4-2/h1-4H2/q+3
InChIKeyKOAKLLVHIPRYLS-UHFFFAOYSA-N
MW135.08 g/mol
LogP1.35
Rot. Bonds4

About di(ethoxy)-oxophosphanium

di(ethoxy)-oxophosphanium (PubChem CID 123266321) has the molecular formula C4H8O3P+3 and a molecular weight of 135.08 g/mol. Its IUPAC name is di(ethoxy)-oxophosphanium.

Molecular Properties

Compound Namedi(ethoxy)-oxophosphanium
PubChem CID123266321
Molecular FormulaC4H8O3P+3
Molecular Weight135.08 g/mol
Exact Mass135.02
IUPAC Namedi(ethoxy)-oxophosphanium
SMILES[CH2+]CO[P+](=O)OC[CH2+]
InChIInChI=1S/C4H8O3P/c1-3-6-8(5)7-4-2/h1-4H2/q+3
InChIKeyKOAKLLVHIPRYLS-UHFFFAOYSA-N
XLogP1.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.08
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 157268042
CID 157268042
bis(2-bromoethoxy)-oxophosphanium
CID 13366419
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
sodium;diethoxy(oxo)phosphanium;hydride
CID 173097047
oxo-bis(2-trimethylsilylethoxy)phosphanium
CID 10731640
trimethyl-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 135354704
bis(2-chloroethoxy)-oxophosphanium;chloroethane
CID 88520254
buta-1,3-diene;diethoxy(oxo)phosphanium
CID 88766369
dihexadecoxy(oxo)phosphanium
CID 6336657
bis(dimethoxyphosphorylmethoxy)-oxophosphanium
CID 130206118
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799

Frequently Asked Questions

What is the IUPAC name of di(ethoxy)-oxophosphanium?
The IUPAC name of di(ethoxy)-oxophosphanium (CID 123266321) is di(ethoxy)-oxophosphanium.
What is the SMILES notation for di(ethoxy)-oxophosphanium?
The canonical SMILES for di(ethoxy)-oxophosphanium is [CH2+]CO[P+](=O)OC[CH2+].
What is the InChIKey of di(ethoxy)-oxophosphanium?
The InChIKey is KOAKLLVHIPRYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3P/c1-3-6-8(5)7-4-2/h1-4H2/q+3.
What are the key properties of di(ethoxy)-oxophosphanium?
di(ethoxy)-oxophosphanium has a molecular weight of 135.08 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(ethoxy)-oxophosphanium is sourced from PubChem (CID 123266321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).