2-(2-oxoethoxy)ethyl hypobromite

C4H7BrO3 — CID 87256554

IUPAC2-(2-oxoethoxy)ethyl hypobromite
SMILESO=CCOCCOBr
InChIInChI=1S/C4H7BrO3/c5-8-4-3-7-2-1-6/h1H,2-4H2
InChIKeyCAJDYUBCFZGCAS-UHFFFAOYSA-N
MW183.00 g/mol
LogP0.53
Rot. Bonds5

About 2-(2-oxoethoxy)ethyl hypobromite

2-(2-oxoethoxy)ethyl hypobromite (PubChem CID 87256554) has the molecular formula C4H7BrO3 and a molecular weight of 183.00 g/mol. Its IUPAC name is 2-(2-oxoethoxy)ethyl hypobromite.

Molecular Properties

Compound Name2-(2-oxoethoxy)ethyl hypobromite
PubChem CID87256554
Molecular FormulaC4H7BrO3
Molecular Weight183.00 g/mol
Exact Mass181.96
IUPAC Name2-(2-oxoethoxy)ethyl hypobromite
SMILESO=CCOCCOBr
InChIInChI=1S/C4H7BrO3/c5-8-4-3-7-2-1-6/h1H,2-4H2
InChIKeyCAJDYUBCFZGCAS-UHFFFAOYSA-N
XLogP0.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.00
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoethoxy)ethyl hypobromite?
The IUPAC name of 2-(2-oxoethoxy)ethyl hypobromite (CID 87256554) is 2-(2-oxoethoxy)ethyl hypobromite.
What is the SMILES notation for 2-(2-oxoethoxy)ethyl hypobromite?
The canonical SMILES for 2-(2-oxoethoxy)ethyl hypobromite is O=CCOCCOBr.
What is the InChIKey of 2-(2-oxoethoxy)ethyl hypobromite?
The InChIKey is CAJDYUBCFZGCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO3/c5-8-4-3-7-2-1-6/h1H,2-4H2.
What are the key properties of 2-(2-oxoethoxy)ethyl hypobromite?
2-(2-oxoethoxy)ethyl hypobromite has a molecular weight of 183.00 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoethoxy)ethyl hypobromite is sourced from PubChem (CID 87256554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).