triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium

C16H38N2O6P+3 — CID 88929505

IUPACtriethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium
SMILESCC[N+](CC)(CC)CCO[P+](=O)OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C16H38N2O6P/c1-4-17(5-2,6-3)10-15-23-25(22)24-16-11-18(7-12-19,8-13-20)9-14-21/h19-21H,4-16H2,1-3H3/q+3
InChIKeyUHLADTXUZGWVCU-UHFFFAOYSA-N
MW385.46 g/mol
LogP0.35
Rot. Bonds17

About triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium

triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium (PubChem CID 88929505) has the molecular formula C16H38N2O6P+3 and a molecular weight of 385.46 g/mol. Its IUPAC name is triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium
PubChem CID88929505
Molecular FormulaC16H38N2O6P+3
Molecular Weight385.46 g/mol
Exact Mass385.25
IUPAC Nametriethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium
SMILESCC[N+](CC)(CC)CCO[P+](=O)OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C16H38N2O6P/c1-4-17(5-2,6-3)10-15-23-25(22)24-16-11-18(7-12-19,8-13-20)9-14-21/h19-21H,4-16H2,1-3H3/q+3
InChIKeyUHLADTXUZGWVCU-UHFFFAOYSA-N
XLogP0.35
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 129235384
triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
CID 145063114
trimethyl-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 135354704
bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
CID 101163799
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride
CID 86709254
diethyl-hexyl-(2-hydroxyethyl)azanium
CID 21128768
tetrakis(2-hydroxyethyl)azanium bromide
CID 177465102
hydride;tetrakis(2-hydroxyethyl)azanium
CID 18517114
ethyl-(2-hydroxyethyl)-bis(2-octadecanoyloxyethyl)azanium;methyl sulfate
CID 88964726
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium?
The IUPAC name of triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium (CID 88929505) is triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium.
What is the SMILES notation for triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium?
The canonical SMILES for triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium is CC[N+](CC)(CC)CCO[P+](=O)OCC[N+](CCO)(CCO)CCO.
What is the InChIKey of triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium?
The InChIKey is UHLADTXUZGWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N2O6P/c1-4-17(5-2,6-3)10-15-23-25(22)24-16-11-18(7-12-19,8-13-20)9-14-21/h19-21H,4-16H2,1-3H3/q+3.
What are the key properties of triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium?
triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium has a molecular weight of 385.46 g/mol, XLogP of 0.35, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium is sourced from PubChem (CID 88929505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).