2-bromoethyloxidanium

C2H6BrO+ — CID 134974175

IUPAC2-bromoethyloxidanium
SMILES[OH2+]CCBr
InChIInChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/p+1
InChIKeyLDLCZOVUSADOIV-UHFFFAOYSA-O
MW125.97 g/mol
LogP0.11
Rot. Bonds1

About 2-bromoethyloxidanium

2-bromoethyloxidanium (PubChem CID 134974175) has the molecular formula C2H6BrO+ and a molecular weight of 125.97 g/mol. Its IUPAC name is 2-bromoethyloxidanium.

Molecular Properties

Compound Name2-bromoethyloxidanium
PubChem CID134974175
Molecular FormulaC2H6BrO+
Molecular Weight125.97 g/mol
Exact Mass124.96
IUPAC Name2-bromoethyloxidanium
SMILES[OH2+]CCBr
InChIInChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/p+1
InChIKeyLDLCZOVUSADOIV-UHFFFAOYSA-O
XLogP0.11
TPSA22.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.97
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethyloxidanium?
The IUPAC name of 2-bromoethyloxidanium (CID 134974175) is 2-bromoethyloxidanium.
What is the SMILES notation for 2-bromoethyloxidanium?
The canonical SMILES for 2-bromoethyloxidanium is [OH2+]CCBr.
What is the InChIKey of 2-bromoethyloxidanium?
The InChIKey is LDLCZOVUSADOIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2/p+1.
What are the key properties of 2-bromoethyloxidanium?
2-bromoethyloxidanium has a molecular weight of 125.97 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyloxidanium is sourced from PubChem (CID 134974175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).