2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride

C7H18ClNO3 — CID 166692262

IUPAC2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride
SMILESC[N+](C)(C)CCOOCCO.[Cl-]
InChIInChI=1S/C7H18NO3.ClH/c1-8(2,3)4-6-10-11-7-5-9;/h9H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyAHHSMEVKOBKQOD-UHFFFAOYSA-M
MW199.68 g/mol
LogP-3.36
Rot. Bonds6

About 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride

2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride (PubChem CID 166692262) has the molecular formula C7H18ClNO3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride.

Molecular Properties

Compound Name2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride
PubChem CID166692262
Molecular FormulaC7H18ClNO3
Molecular Weight199.68 g/mol
Exact Mass199.10
IUPAC Name2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride
SMILESC[N+](C)(C)CCOOCCO.[Cl-]
InChIInChI=1S/C7H18NO3.ClH/c1-8(2,3)4-6-10-11-7-5-9;/h9H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyAHHSMEVKOBKQOD-UHFFFAOYSA-M
XLogP-3.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 5-3.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride 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

2-(2-hydroxyethylperoxy)ethanol;methoxymethane
CID 174905336
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
sodium;hydride;2-(2-hydroxyethylperoxy)ethanol
CID 174491378
2-hydroperoxyethyl(trimethyl)azanium;sulfane
CID 174916235
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate
CID 162014348
dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174841294
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride?
The IUPAC name of 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride (CID 166692262) is 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride.
What is the SMILES notation for 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride?
The canonical SMILES for 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride is C[N+](C)(C)CCOOCCO.[Cl-].
What is the InChIKey of 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride?
The InChIKey is AHHSMEVKOBKQOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO3.ClH/c1-8(2,3)4-6-10-11-7-5-9;/h9H,4-7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride?
2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride has a molecular weight of 199.68 g/mol, XLogP of -3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylperoxy)ethyl-trimethylazanium chloride is sourced from PubChem (CID 166692262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).