bis[2-(2-bromoethoxy)ethoxy]-oxoazanium

C8H16Br2NO5+ — CID 89439398

IUPACbis[2-(2-bromoethoxy)ethoxy]-oxoazanium
SMILESO=[N+](OCCOCCBr)OCCOCCBr
InChIInChI=1S/C8H16Br2NO5/c9-1-3-13-5-7-15-11(12)16-8-6-14-4-2-10/h1-8H2/q+1
InChIKeyTZIFGWGSGHZLTK-UHFFFAOYSA-N
MW366.03 g/mol
LogP1.45
Rot. Bonds12

About bis[2-(2-bromoethoxy)ethoxy]-oxoazanium

bis[2-(2-bromoethoxy)ethoxy]-oxoazanium (PubChem CID 89439398) has the molecular formula C8H16Br2NO5+ and a molecular weight of 366.03 g/mol. Its IUPAC name is bis[2-(2-bromoethoxy)ethoxy]-oxoazanium.

Molecular Properties

Compound Namebis[2-(2-bromoethoxy)ethoxy]-oxoazanium
PubChem CID89439398
Molecular FormulaC8H16Br2NO5+
Molecular Weight366.03 g/mol
Exact Mass363.94
IUPAC Namebis[2-(2-bromoethoxy)ethoxy]-oxoazanium
SMILESO=[N+](OCCOCCBr)OCCOCCBr
InChIInChI=1S/C8H16Br2NO5/c9-1-3-13-5-7-15-11(12)16-8-6-14-4-2-10/h1-8H2/q+1
InChIKeyTZIFGWGSGHZLTK-UHFFFAOYSA-N
XLogP1.45
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.03
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis[2-(2-bromoethoxy)ethoxy]-oxoazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-bromoethoxy)ethoxy]-oxoazanium?
The IUPAC name of bis[2-(2-bromoethoxy)ethoxy]-oxoazanium (CID 89439398) is bis[2-(2-bromoethoxy)ethoxy]-oxoazanium.
What is the SMILES notation for bis[2-(2-bromoethoxy)ethoxy]-oxoazanium?
The canonical SMILES for bis[2-(2-bromoethoxy)ethoxy]-oxoazanium is O=[N+](OCCOCCBr)OCCOCCBr.
What is the InChIKey of bis[2-(2-bromoethoxy)ethoxy]-oxoazanium?
The InChIKey is TZIFGWGSGHZLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2NO5/c9-1-3-13-5-7-15-11(12)16-8-6-14-4-2-10/h1-8H2/q+1.
What are the key properties of bis[2-(2-bromoethoxy)ethoxy]-oxoazanium?
bis[2-(2-bromoethoxy)ethoxy]-oxoazanium has a molecular weight of 366.03 g/mol, XLogP of 1.45, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-bromoethoxy)ethoxy]-oxoazanium is sourced from PubChem (CID 89439398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).