triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium

C18H43N2O5P+2 — CID 145063114

IUPACtriethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
SMILESCC[N+](CC)(CC)CCOP(=O)(CC)OCC[N+](CC)(CCO)CCO
InChIInChI=1S/C18H43N2O5P/c1-6-19(7-2,8-3)13-17-24-26(23,10-5)25-18-14-20(9-4,11-15-21)12-16-22/h21-22H,6-18H2,1-5H3/q+2
InChIKeyBDOPACVKXONURZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.93
Rot. Bonds17

About triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium

triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium (PubChem CID 145063114) has the molecular formula C18H43N2O5P+2 and a molecular weight of 398.53 g/mol. Its IUPAC name is triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
PubChem CID145063114
Molecular FormulaC18H43N2O5P+2
Molecular Weight398.53 g/mol
Exact Mass398.29
IUPAC Nametriethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
SMILESCC[N+](CC)(CC)CCOP(=O)(CC)OCC[N+](CC)(CCO)CCO
InChIInChI=1S/C18H43N2O5P/c1-6-19(7-2,8-3)13-17-24-26(23,10-5)25-18-14-20(9-4,11-15-21)12-16-22/h21-22H,6-18H2,1-5H3/q+2
InChIKeyBDOPACVKXONURZ-UHFFFAOYSA-N
XLogP1.93
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium
CID 88929505
tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium
CID 149237603
triethyl(2-methoxyethyl)azanium
CID 3026728
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
calcium;hydride;2-hydroxyethyl(trimethyl)azanium;trimethyl(2-phosphonooxyethyl)azanium;hydrochloride
CID 174999238
2-diethoxyphosphorylsulfanylethyl(triethyl)azanium
CID 29997
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
1-[ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032
di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium
CID 10747321
2-acetyloxyethyl(triethyl)azanium bromide
CID 24833373
dioxido(oxo)silane;bis(ethyl-tris(3-hydroxypropyl)azanium)
CID 22013492

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium?
The IUPAC name of triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium (CID 145063114) is triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium.
What is the SMILES notation for triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium?
The canonical SMILES for triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium is CC[N+](CC)(CC)CCOP(=O)(CC)OCC[N+](CC)(CCO)CCO.
What is the InChIKey of triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium?
The InChIKey is BDOPACVKXONURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H43N2O5P/c1-6-19(7-2,8-3)13-17-24-26(23,10-5)25-18-14-20(9-4,11-15-21)12-16-22/h21-22H,6-18H2,1-5H3/q+2.
What are the key properties of triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium?
triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium has a molecular weight of 398.53 g/mol, XLogP of 1.93, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium is sourced from PubChem (CID 145063114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).