2-ethoxyethoxymethyl(trimethyl)azanium chloride

C8H20ClNO2 — CID 170555157

IUPAC2-ethoxyethoxymethyl(trimethyl)azanium chloride
SMILESCCOCCOC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H20NO2.ClH/c1-5-10-6-7-11-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyAPHIPENSRFAXOO-UHFFFAOYSA-M
MW197.71 g/mol
LogP-2.29
Rot. Bonds6

About 2-ethoxyethoxymethyl(trimethyl)azanium chloride

2-ethoxyethoxymethyl(trimethyl)azanium chloride (PubChem CID 170555157) has the molecular formula C8H20ClNO2 and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-ethoxyethoxymethyl(trimethyl)azanium chloride.

Molecular Properties

Compound Name2-ethoxyethoxymethyl(trimethyl)azanium chloride
PubChem CID170555157
Molecular FormulaC8H20ClNO2
Molecular Weight197.71 g/mol
Exact Mass197.12
IUPAC Name2-ethoxyethoxymethyl(trimethyl)azanium chloride
SMILESCCOCCOC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H20NO2.ClH/c1-5-10-6-7-11-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyAPHIPENSRFAXOO-UHFFFAOYSA-M
XLogP-2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 5-2.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,2-diethoxyethane;hydrofluoride
CID 175535770
decoxymethyl(trimethyl)azanium
CID 12769756
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
CID 121293209
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
CID 87738148
tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]phosphane
CID 141418245
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
bis(2-ethoxyethyl)-dimethylazanium bromide
CID 167445593
ethoxyethane;sulfane
CID 87243372
ethoxyethane;sulfane
CID 90240371

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethoxymethyl(trimethyl)azanium chloride?
The IUPAC name of 2-ethoxyethoxymethyl(trimethyl)azanium chloride (CID 170555157) is 2-ethoxyethoxymethyl(trimethyl)azanium chloride.
What is the SMILES notation for 2-ethoxyethoxymethyl(trimethyl)azanium chloride?
The canonical SMILES for 2-ethoxyethoxymethyl(trimethyl)azanium chloride is CCOCCOC[N+](C)(C)C.[Cl-].
What is the InChIKey of 2-ethoxyethoxymethyl(trimethyl)azanium chloride?
The InChIKey is APHIPENSRFAXOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO2.ClH/c1-5-10-6-7-11-8-9(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of 2-ethoxyethoxymethyl(trimethyl)azanium chloride?
2-ethoxyethoxymethyl(trimethyl)azanium chloride has a molecular weight of 197.71 g/mol, XLogP of -2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethoxymethyl(trimethyl)azanium chloride is sourced from PubChem (CID 170555157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).