2-(2-oxoethoxy)ethyl hypobromite

C4H7BrO3 — CID 87256554

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 Name: 2-(2-oxoethoxy)ethyl hypobromite
• PubChem CID: 87256554
• Molecular Formula: C4H7BrO3
• Molecular Weight: 183.00 g/mol
• Exact Mass: 181.96
• IUPAC Name: 2-(2-oxoethoxy)ethyl hypobromite
• SMILES: O=CCOCCOBr
• InChI: InChI=1S/C4H7BrO3/c5-8-4-3-7-2-1-6/h1H,2-4H2
• InChIKey: CAJDYUBCFZGCAS-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.00
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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).