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

C12H24Br2NO7+ — CID 89439004

IUPACbis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium
SMILESO=[N+](OCCOCCOCCBr)OCCOCCOCCBr
InChIInChI=1S/C12H24Br2NO7/c13-1-3-17-5-7-19-9-11-21-15(16)22-12-10-20-8-6-18-4-2-14/h1-12H2/q+1
InChIKeyCRIPNCINCLRLFY-UHFFFAOYSA-N
MW454.13 g/mol
LogP1.48
Rot. Bonds18

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

bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium (PubChem CID 89439004) has the molecular formula C12H24Br2NO7+ and a molecular weight of 454.13 g/mol. Its IUPAC name is bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium.

Molecular Properties

Compound Namebis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium
PubChem CID89439004
Molecular FormulaC12H24Br2NO7+
Molecular Weight454.13 g/mol
Exact Mass451.99
IUPAC Namebis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium
SMILESO=[N+](OCCOCCOCCBr)OCCOCCOCCBr
InChIInChI=1S/C12H24Br2NO7/c13-1-3-17-5-7-19-9-11-21-15(16)22-12-10-20-8-6-18-4-2-14/h1-12H2/q+1
InChIKeyCRIPNCINCLRLFY-UHFFFAOYSA-N
XLogP1.48
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.13
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium?
The IUPAC name of bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium (CID 89439004) is bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium.
What is the SMILES notation for bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium?
The canonical SMILES for bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium is O=[N+](OCCOCCOCCBr)OCCOCCOCCBr.
What is the InChIKey of bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium?
The InChIKey is CRIPNCINCLRLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Br2NO7/c13-1-3-17-5-7-19-9-11-21-15(16)22-12-10-20-8-6-18-4-2-14/h1-12H2/q+1.
What are the key properties of bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium?
bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium has a molecular weight of 454.13 g/mol, XLogP of 1.48, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-oxoazanium is sourced from PubChem (CID 89439004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).