tributyl(diethoxyphosphoryloxy)phosphanium

C16H37O4P2+ — CID 175318995

IUPACtributyl(diethoxyphosphoryloxy)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C16H37O4P2/c1-6-11-14-21(15-12-7-2,16-13-8-3)20-22(17,18-9-4)19-10-5/h6-16H2,1-5H3/q+1
InChIKeyRQFGQEWKUNWLJM-UHFFFAOYSA-N
MW355.42 g/mol
LogP6.52
Rot. Bonds15

About tributyl(diethoxyphosphoryloxy)phosphanium

tributyl(diethoxyphosphoryloxy)phosphanium (PubChem CID 175318995) has the molecular formula C16H37O4P2+ and a molecular weight of 355.42 g/mol. Its IUPAC name is tributyl(diethoxyphosphoryloxy)phosphanium.

Molecular Properties

Compound Nametributyl(diethoxyphosphoryloxy)phosphanium
PubChem CID175318995
Molecular FormulaC16H37O4P2+
Molecular Weight355.42 g/mol
Exact Mass355.22
IUPAC Nametributyl(diethoxyphosphoryloxy)phosphanium
SMILESCCCC[P+](CCCC)(CCCC)OP(=O)(OCC)OCC
InChIInChI=1S/C16H37O4P2/c1-6-11-14-21(15-12-7-2,16-13-8-3)20-22(17,18-9-4)19-10-5/h6-16H2,1-5H3/q+1
InChIKeyRQFGQEWKUNWLJM-UHFFFAOYSA-N
XLogP6.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl bis(2-heptylundecyl) phosphate
CID 10963237
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
(2R)-1-diethoxyphosphoryl-2-fluorohexane
CID 125470992
4-(diethoxyphosphorylmethyl)octane
CID 102507048
aluminum;triethyl phosphate;phosphate
CID 174993171
3-(diethoxyphosphorylmethyl)heptane
CID 13197361
azane;didodecyl ethyl phosphate
CID 170436215
copper(1+);diethyl oct-1-yn-3-yl phosphate
CID 10426447
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
CID 71317741
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867

Frequently Asked Questions

What is the IUPAC name of tributyl(diethoxyphosphoryloxy)phosphanium?
The IUPAC name of tributyl(diethoxyphosphoryloxy)phosphanium (CID 175318995) is tributyl(diethoxyphosphoryloxy)phosphanium.
What is the SMILES notation for tributyl(diethoxyphosphoryloxy)phosphanium?
The canonical SMILES for tributyl(diethoxyphosphoryloxy)phosphanium is CCCC[P+](CCCC)(CCCC)OP(=O)(OCC)OCC.
What is the InChIKey of tributyl(diethoxyphosphoryloxy)phosphanium?
The InChIKey is RQFGQEWKUNWLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37O4P2/c1-6-11-14-21(15-12-7-2,16-13-8-3)20-22(17,18-9-4)19-10-5/h6-16H2,1-5H3/q+1.
What are the key properties of tributyl(diethoxyphosphoryloxy)phosphanium?
tributyl(diethoxyphosphoryloxy)phosphanium has a molecular weight of 355.42 g/mol, XLogP of 6.52, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(diethoxyphosphoryloxy)phosphanium is sourced from PubChem (CID 175318995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).