diethoxy(oxo)phosphanium

C4H10O3P+ — CID 6327654

IUPACdiethoxy(oxo)phosphanium
SMILESCCO[P+](=O)OCC
InChIInChI=1S/C4H10O3P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3/q+1
InChIKeyLXCYSACZTOKNNS-UHFFFAOYSA-N
MW137.09 g/mol
LogP1.72
Rot. Bonds4

About diethoxy(oxo)phosphanium

diethoxy(oxo)phosphanium (PubChem CID 6327654) has the molecular formula C4H10O3P+ and a molecular weight of 137.09 g/mol. Its IUPAC name is diethoxy(oxo)phosphanium.

Molecular Properties

Compound Namediethoxy(oxo)phosphanium
PubChem CID6327654
Molecular FormulaC4H10O3P+
Molecular Weight137.09 g/mol
Exact Mass137.04
IUPAC Namediethoxy(oxo)phosphanium
SMILESCCO[P+](=O)OCC
InChIInChI=1S/C4H10O3P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3/q+1
InChIKeyLXCYSACZTOKNNS-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.09
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy(oxo)phosphanium?
The IUPAC name of diethoxy(oxo)phosphanium (CID 6327654) is diethoxy(oxo)phosphanium.
What is the SMILES notation for diethoxy(oxo)phosphanium?
The canonical SMILES for diethoxy(oxo)phosphanium is CCO[P+](=O)OCC.
What is the InChIKey of diethoxy(oxo)phosphanium?
The InChIKey is LXCYSACZTOKNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3/q+1.
What are the key properties of diethoxy(oxo)phosphanium?
diethoxy(oxo)phosphanium has a molecular weight of 137.09 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(oxo)phosphanium is sourced from PubChem (CID 6327654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).