diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium

C18H42O3P2+2 — CID 175740347

IUPACdiethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium
SMILESCCCC[P+](CC)(CCCC)CCCC.CCO[P+](=O)OCC
InChIInChI=1S/C14H32P.C4H10O3P/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-3-6-8(5)7-4-2/h5-14H2,1-4H3;3-4H2,1-2H3/q2*+1
InChIKeyQJAVSAJTMVGZGN-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.14
Rot. Bonds14

About diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium

diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium (PubChem CID 175740347) has the molecular formula C18H42O3P2+2 and a molecular weight of 368.48 g/mol. Its IUPAC name is diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium.

Molecular Properties

Compound Namediethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium
PubChem CID175740347
Molecular FormulaC18H42O3P2+2
Molecular Weight368.48 g/mol
Exact Mass368.26
IUPAC Namediethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium
SMILESCCCC[P+](CC)(CCCC)CCCC.CCO[P+](=O)OCC
InChIInChI=1S/C14H32P.C4H10O3P/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-3-6-8(5)7-4-2/h5-14H2,1-4H3;3-4H2,1-2H3/q2*+1
InChIKeyQJAVSAJTMVGZGN-UHFFFAOYSA-N
XLogP7.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl(ethyl)phosphanium;yttrium
CID 157495061
ethoxy-oxo-pentoxyphosphanium
CID 86182061
CID 157268042
CID 157268042
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
ethoxy-hexoxy-oxophosphanium
CID 6329155
butyl-ethyl-dioctylphosphanium
CID 87508514
magnesium;diethoxy(oxo)phosphanium;hydride
CID 175376025
ethoxy-octan-3-yl-oxophosphanium
CID 20976036
butyl-diethyl-hexylphosphanium
CID 87509146
2-aminoethanesulfonic acid;tributyl(ethyl)phosphanium
CID 174873795
bis(3-ethyldecoxy)-oxophosphanium
CID 175430698
buta-1,3-diene;diethoxy(oxo)phosphanium
CID 88766369

Frequently Asked Questions

What is the IUPAC name of diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium?
The IUPAC name of diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium (CID 175740347) is diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium.
What is the SMILES notation for diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium?
The canonical SMILES for diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium is CCCC[P+](CC)(CCCC)CCCC.CCO[P+](=O)OCC.
What is the InChIKey of diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium?
The InChIKey is QJAVSAJTMVGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32P.C4H10O3P/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-3-6-8(5)7-4-2/h5-14H2,1-4H3;3-4H2,1-2H3/q2*+1.
What are the key properties of diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium?
diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium has a molecular weight of 368.48 g/mol, XLogP of 7.14, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium is sourced from PubChem (CID 175740347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).