2-ethoxyiminoethoxy-methyl-oxophosphanium

C5H11NO3P+ — CID 151695946

IUPAC2-ethoxyiminoethoxy-methyl-oxophosphanium
SMILESCCON=CCO[P+](C)=O
InChIInChI=1S/C5H11NO3P/c1-3-8-6-4-5-9-10(2)7/h4H,3,5H2,1-2H3/q+1
InChIKeyUMRWJVLKZIUPEP-UHFFFAOYSA-N
MW164.12 g/mol
LogP1.40
Rot. Bonds5

About 2-ethoxyiminoethoxy-methyl-oxophosphanium

2-ethoxyiminoethoxy-methyl-oxophosphanium (PubChem CID 151695946) has the molecular formula C5H11NO3P+ and a molecular weight of 164.12 g/mol. Its IUPAC name is 2-ethoxyiminoethoxy-methyl-oxophosphanium.

Molecular Properties

Compound Name2-ethoxyiminoethoxy-methyl-oxophosphanium
PubChem CID151695946
Molecular FormulaC5H11NO3P+
Molecular Weight164.12 g/mol
Exact Mass164.05
IUPAC Name2-ethoxyiminoethoxy-methyl-oxophosphanium
SMILESCCON=CCO[P+](C)=O
InChIInChI=1S/C5H11NO3P/c1-3-8-6-4-5-9-10(2)7/h4H,3,5H2,1-2H3/q+1
InChIKeyUMRWJVLKZIUPEP-UHFFFAOYSA-N
XLogP1.40
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine
CID 13204159
(E)-2-diethoxyphosphoryl-N-methoxyethanimine
CID 135087116
bis[(2E)-2-methoxyiminoethoxy]-oxophosphanium
CID 17769584
(E)-2-dimethoxyphosphoryl-N-methoxyethanimine
CID 19842332
2-(Ethylideneamino)oxyethoxy-methylphosphinic acid
CID 59073323
Diethyl [2-(hydroxyimino)ethyl]phosphonate
CID 71335397
Bis(2-methoxyiminoethoxy)-oxophosphanium
CID 73410668
Hydroxy-(2-methoxyiminoethoxy)-oxophosphanium
CID 88631687
N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine
CID 88631889
[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium
CID 88729435
2-Ethoxyiminoethyl(methyl)phosphinic acid
CID 123573204
N-ethoxy-3-phosphorosooxypropan-1-imine
CID 140555804

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyiminoethoxy-methyl-oxophosphanium?
The IUPAC name of 2-ethoxyiminoethoxy-methyl-oxophosphanium (CID 151695946) is 2-ethoxyiminoethoxy-methyl-oxophosphanium.
What is the SMILES notation for 2-ethoxyiminoethoxy-methyl-oxophosphanium?
The canonical SMILES for 2-ethoxyiminoethoxy-methyl-oxophosphanium is CCON=CCO[P+](C)=O.
What is the InChIKey of 2-ethoxyiminoethoxy-methyl-oxophosphanium?
The InChIKey is UMRWJVLKZIUPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3P/c1-3-8-6-4-5-9-10(2)7/h4H,3,5H2,1-2H3/q+1.
What are the key properties of 2-ethoxyiminoethoxy-methyl-oxophosphanium?
2-ethoxyiminoethoxy-methyl-oxophosphanium has a molecular weight of 164.12 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyiminoethoxy-methyl-oxophosphanium is sourced from PubChem (CID 151695946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).