2-[2-(2-bromoethoxy)ethoxy]acetaldehyde

C6H11BrO3 — CID 59714779

IUPAC2-[2-(2-bromoethoxy)ethoxy]acetaldehyde
SMILESO=CCOCCOCCBr
InChIInChI=1S/C6H11BrO3/c7-1-3-9-5-6-10-4-2-8/h2H,1,3-6H2
InChIKeyFYPVFJXLGOISTK-UHFFFAOYSA-N
MW211.05 g/mol
LogP0.61
Rot. Bonds7

About 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde

2-[2-(2-bromoethoxy)ethoxy]acetaldehyde (PubChem CID 59714779) has the molecular formula C6H11BrO3 and a molecular weight of 211.05 g/mol. Its IUPAC name is 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2-bromoethoxy)ethoxy]acetaldehyde
PubChem CID59714779
Molecular FormulaC6H11BrO3
Molecular Weight211.05 g/mol
Exact Mass209.99
IUPAC Name2-[2-(2-bromoethoxy)ethoxy]acetaldehyde
SMILESO=CCOCCOCCBr
InChIInChI=1S/C6H11BrO3/c7-1-3-9-5-6-10-4-2-8/h2H,1,3-6H2
InChIKeyFYPVFJXLGOISTK-UHFFFAOYSA-N
XLogP0.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.05
LogP ≤ 50.61
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'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde?
The IUPAC name of 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde (CID 59714779) is 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde.
What is the SMILES notation for 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde?
The canonical SMILES for 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde is O=CCOCCOCCBr.
What is the InChIKey of 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde?
The InChIKey is FYPVFJXLGOISTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO3/c7-1-3-9-5-6-10-4-2-8/h2H,1,3-6H2.
What are the key properties of 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde?
2-[2-(2-bromoethoxy)ethoxy]acetaldehyde has a molecular weight of 211.05 g/mol, XLogP of 0.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoethoxy)ethoxy]acetaldehyde is sourced from PubChem (CID 59714779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).