2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium

C25H57N2O9P+2 — CID 163946191

IUPAC2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
SMILESCCOCC[N+](CCCOC)(CCOC)CCOP(C)(=O)OCC[N+](CCOC)(CCOC)CCOC
InChIInChI=1S/C25H57N2O9P/c1-8-34-23-15-26(11-19-30-3,10-9-18-29-2)16-24-35-37(7,28)36-25-17-27(12-20-31-4,13-21-32-5)14-22-33-6/h8-25H2,1-7H3/q+2
InChIKeyRVHFNMZJUBGTNH-UHFFFAOYSA-N
MW560.71 g/mol
LogP2.13
Rot. Bonds28

About 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium

2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium (PubChem CID 163946191) has the molecular formula C25H57N2O9P+2 and a molecular weight of 560.71 g/mol. Its IUPAC name is 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium.

Molecular Properties

Compound Name2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
PubChem CID163946191
Molecular FormulaC25H57N2O9P+2
Molecular Weight560.71 g/mol
Exact Mass560.38
IUPAC Name2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
SMILESCCOCC[N+](CCCOC)(CCOC)CCOP(C)(=O)OCC[N+](CCOC)(CCOC)CCOC
InChIInChI=1S/C25H57N2O9P/c1-8-34-23-15-26(11-19-30-3,10-9-18-29-2)16-24-35-37(7,28)36-25-17-27(12-20-31-4,13-21-32-5)14-22-33-6/h8-25H2,1-7H3/q+2
InChIKeyRVHFNMZJUBGTNH-UHFFFAOYSA-N
XLogP2.13
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.71
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium with MolForge

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Related Compounds

tris(2-methoxyethyl)-(3-methoxypropyl)azanium
CID 71320742
tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide
CID 71320741
trimethyl-[2-[methyl(2-tridecoxyethoxy)phosphoryl]oxyethyl]azanium
CID 91488158
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
triethyl(2-methoxyethyl)azanium
CID 3026728
tributyl-[2-[2-[2-(tributylazaniumyl)ethoxy]ethoxy]ethyl]azanium
CID 15044940
triethyl-[3-[2-(2-methoxyethoxy)ethoxy]propyl]azanium
CID 135364479
tris[2-(2-methoxyethoxy)ethyl]-propylazanium;trihydrobromide
CID 173388150
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium?
The IUPAC name of 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium (CID 163946191) is 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium.
What is the SMILES notation for 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium?
The canonical SMILES for 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium is CCOCC[N+](CCCOC)(CCOC)CCOP(C)(=O)OCC[N+](CCOC)(CCOC)CCOC.
What is the InChIKey of 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium?
The InChIKey is RVHFNMZJUBGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H57N2O9P/c1-8-34-23-15-26(11-19-30-3,10-9-18-29-2)16-24-35-37(7,28)36-25-17-27(12-20-31-4,13-21-32-5)14-22-33-6/h8-25H2,1-7H3/q+2.
What are the key properties of 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium?
2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium has a molecular weight of 560.71 g/mol, XLogP of 2.13, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl-(2-methoxyethyl)-(3-methoxypropyl)-[2-[methyl-[2-[tris(2-methoxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium is sourced from PubChem (CID 163946191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).