1-[2-(bromomethoxy)ethoxy]-2-methoxyethane

C6H13BrO3 — CID 171854698

IUPAC1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
SMILESCOCCOCCOCBr
InChIInChI=1S/C6H13BrO3/c1-8-2-3-9-4-5-10-6-7/h2-6H2,1H3
InChIKeyDINXWRNSZQJHJL-UHFFFAOYSA-N
MW213.07 g/mol
LogP1.02
Rot. Bonds7

About 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane

1-[2-(bromomethoxy)ethoxy]-2-methoxyethane (PubChem CID 171854698) has the molecular formula C6H13BrO3 and a molecular weight of 213.07 g/mol. Its IUPAC name is 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane.

Molecular Properties

Compound Name1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
PubChem CID171854698
Molecular FormulaC6H13BrO3
Molecular Weight213.07 g/mol
Exact Mass212.00
IUPAC Name1-[2-(bromomethoxy)ethoxy]-2-methoxyethane
SMILESCOCCOCCOCBr
InChIInChI=1S/C6H13BrO3/c1-8-2-3-9-4-5-10-6-7/h2-6H2,1H3
InChIKeyDINXWRNSZQJHJL-UHFFFAOYSA-N
XLogP1.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane
CID 141442958
CID 172826348
CID 172826348
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
1-bromo-3-(2-methoxyethoxy)propane
CID 15636133
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethylperoxy]ethoxy]ethoxy]ethane
CID 140812368
zinc;carbanide;1-methoxy-2-(2-methoxyethoxy)ethane
CID 161464033

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane?
The IUPAC name of 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane (CID 171854698) is 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane.
What is the SMILES notation for 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane?
The canonical SMILES for 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane is COCCOCCOCBr.
What is the InChIKey of 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane?
The InChIKey is DINXWRNSZQJHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO3/c1-8-2-3-9-4-5-10-6-7/h2-6H2,1H3.
What are the key properties of 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane?
1-[2-(bromomethoxy)ethoxy]-2-methoxyethane has a molecular weight of 213.07 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethoxy)ethoxy]-2-methoxyethane is sourced from PubChem (CID 171854698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).