O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide

C8H19Br2NO4 — CID 164887486

IUPACO-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide
SMILESBr.NOCCOCCOCCOCCBr
InChIInChI=1S/C8H18BrNO4.BrH/c9-1-2-11-3-4-12-5-6-13-7-8-14-10;/h1-8,10H2;1H
InChIKeyLPVRSNVKOVAHGN-UHFFFAOYSA-N
MW353.05 g/mol
LogP0.90
Rot. Bonds11

About O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide

O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide (PubChem CID 164887486) has the molecular formula C8H19Br2NO4 and a molecular weight of 353.05 g/mol. Its IUPAC name is O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide.

Molecular Properties

Compound NameO-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide
PubChem CID164887486
Molecular FormulaC8H19Br2NO4
Molecular Weight353.05 g/mol
Exact Mass350.97
IUPAC NameO-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide
SMILESBr.NOCCOCCOCCOCCBr
InChIInChI=1S/C8H18BrNO4.BrH/c9-1-2-11-3-4-12-5-6-13-7-8-14-10;/h1-8,10H2;1H
InChIKeyLPVRSNVKOVAHGN-UHFFFAOYSA-N
XLogP0.90
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 50.90
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide?
The IUPAC name of O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide (CID 164887486) is O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide.
What is the SMILES notation for O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide?
The canonical SMILES for O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide is Br.NOCCOCCOCCOCCBr.
What is the InChIKey of O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide?
The InChIKey is LPVRSNVKOVAHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO4.BrH/c9-1-2-11-3-4-12-5-6-13-7-8-14-10;/h1-8,10H2;1H.
What are the key properties of O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide?
O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide has a molecular weight of 353.05 g/mol, XLogP of 0.90, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine;hydrobromide is sourced from PubChem (CID 164887486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).