diethoxyphosphanylimino(diethoxy)phosphanium

C8H20NO4P2+ — CID 129225331

IUPACdiethoxyphosphanylimino(diethoxy)phosphanium
SMILESCCOP(N=[P+](OCC)OCC)OCC
InChIInChI=1S/C8H20NO4P2/c1-5-10-14(11-6-2)9-15(12-7-3)13-8-4/h5-8H2,1-4H3/q+1
InChIKeyNCDITUDRVLUABF-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.85
Rot. Bonds9

About diethoxyphosphanylimino(diethoxy)phosphanium

diethoxyphosphanylimino(diethoxy)phosphanium (PubChem CID 129225331) has the molecular formula C8H20NO4P2+ and a molecular weight of 256.20 g/mol. Its IUPAC name is diethoxyphosphanylimino(diethoxy)phosphanium.

Molecular Properties

Compound Namediethoxyphosphanylimino(diethoxy)phosphanium
PubChem CID129225331
Molecular FormulaC8H20NO4P2+
Molecular Weight256.20 g/mol
Exact Mass256.09
IUPAC Namediethoxyphosphanylimino(diethoxy)phosphanium
SMILESCCOP(N=[P+](OCC)OCC)OCC
InChIInChI=1S/C8H20NO4P2/c1-5-10-14(11-6-2)9-15(12-7-3)13-8-4/h5-8H2,1-4H3/q+1
InChIKeyNCDITUDRVLUABF-UHFFFAOYSA-N
XLogP3.85
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethoxy(isocyanato)phosphane
CID 12510853
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
bis(ethenyl)-ethoxyphosphane
CID 130251440
diethoxy(methyl)phosphane;phosphane
CID 174821155
diethyl hydrogen phosphite
CID 12977
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
calcium ethyl phosphite
CID 22914058
bromocopper;triethyl phosphite
CID 12653173
CID 157268042
CID 157268042
phosphorous acid;triethyl phosphite
CID 174300225
ethyl phosphite;iron(2+)
CID 88797348
diethyl hydrogen phosphite;mercury
CID 54602640

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphanylimino(diethoxy)phosphanium?
The IUPAC name of diethoxyphosphanylimino(diethoxy)phosphanium (CID 129225331) is diethoxyphosphanylimino(diethoxy)phosphanium.
What is the SMILES notation for diethoxyphosphanylimino(diethoxy)phosphanium?
The canonical SMILES for diethoxyphosphanylimino(diethoxy)phosphanium is CCOP(N=[P+](OCC)OCC)OCC.
What is the InChIKey of diethoxyphosphanylimino(diethoxy)phosphanium?
The InChIKey is NCDITUDRVLUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO4P2/c1-5-10-14(11-6-2)9-15(12-7-3)13-8-4/h5-8H2,1-4H3/q+1.
What are the key properties of diethoxyphosphanylimino(diethoxy)phosphanium?
diethoxyphosphanylimino(diethoxy)phosphanium has a molecular weight of 256.20 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphanylimino(diethoxy)phosphanium is sourced from PubChem (CID 129225331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).