bis(2-methoxyiminoethoxy)-oxophosphanium

C6H12N2O5P+ — CID 73410668

IUPACbis(2-methoxyiminoethoxy)-oxophosphanium
SMILESCON=CCO[P+](=O)OCC=NOC
InChIInChI=1S/C6H12N2O5P/c1-10-7-3-5-12-14(9)13-6-4-8-11-2/h3-4H,5-6H2,1-2H3/q+1
InChIKeyHRKKIFGUMBDVNX-UHFFFAOYSA-N
MW223.14 g/mol
LogP0.94
Rot. Bonds8

About bis(2-methoxyiminoethoxy)-oxophosphanium

bis(2-methoxyiminoethoxy)-oxophosphanium (PubChem CID 73410668) has the molecular formula C6H12N2O5P+ and a molecular weight of 223.14 g/mol. Its IUPAC name is bis(2-methoxyiminoethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-methoxyiminoethoxy)-oxophosphanium
PubChem CID73410668
Molecular FormulaC6H12N2O5P+
Molecular Weight223.14 g/mol
Exact Mass223.05
IUPAC Namebis(2-methoxyiminoethoxy)-oxophosphanium
SMILESCON=CCO[P+](=O)OCC=NOC
InChIInChI=1S/C6H12N2O5P/c1-10-7-3-5-12-14(9)13-6-4-8-11-2/h3-4H,5-6H2,1-2H3/q+1
InChIKeyHRKKIFGUMBDVNX-UHFFFAOYSA-N
XLogP0.94
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyiminoethoxy)-oxophosphanium?
The IUPAC name of bis(2-methoxyiminoethoxy)-oxophosphanium (CID 73410668) is bis(2-methoxyiminoethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-methoxyiminoethoxy)-oxophosphanium?
The canonical SMILES for bis(2-methoxyiminoethoxy)-oxophosphanium is CON=CCO[P+](=O)OCC=NOC.
What is the InChIKey of bis(2-methoxyiminoethoxy)-oxophosphanium?
The InChIKey is HRKKIFGUMBDVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5P/c1-10-7-3-5-12-14(9)13-6-4-8-11-2/h3-4H,5-6H2,1-2H3/q+1.
What are the key properties of bis(2-methoxyiminoethoxy)-oxophosphanium?
bis(2-methoxyiminoethoxy)-oxophosphanium has a molecular weight of 223.14 g/mol, XLogP of 0.94, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyiminoethoxy)-oxophosphanium is sourced from PubChem (CID 73410668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).