1-bromo-2-(ethoxymethoxy)ethane

C5H11BrO2 — CID 46942229

IUPAC1-bromo-2-(ethoxymethoxy)ethane
SMILESCCOCOCCBr
InChIInChI=1S/C5H11BrO2/c1-2-7-5-8-4-3-6/h2-5H2,1H3
InChIKeyFPHSEBHPKKKYKD-UHFFFAOYSA-N
MW183.04 g/mol
LogP1.39
Rot. Bonds5

About 1-bromo-2-(ethoxymethoxy)ethane

1-bromo-2-(ethoxymethoxy)ethane (PubChem CID 46942229) has the molecular formula C5H11BrO2 and a molecular weight of 183.04 g/mol. Its IUPAC name is 1-bromo-2-(ethoxymethoxy)ethane.

Molecular Properties

Compound Name1-bromo-2-(ethoxymethoxy)ethane
PubChem CID46942229
Molecular FormulaC5H11BrO2
Molecular Weight183.04 g/mol
Exact Mass181.99
IUPAC Name1-bromo-2-(ethoxymethoxy)ethane
SMILESCCOCOCCBr
InChIInChI=1S/C5H11BrO2/c1-2-7-5-8-4-3-6/h2-5H2,1H3
InChIKeyFPHSEBHPKKKYKD-UHFFFAOYSA-N
XLogP1.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.04
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(ethoxymethoxy)-2-methoxyethane
CID 18398264
2-(ethoxymethoxy)ethanol;methane
CID 161049007
1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
CID 165051795
bis(dimethoxymethane);ethoxymethoxyethane
CID 158499247
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 114263721
4-(ethoxymethoxymethoxy)butan-1-ol
CID 57011748
ethoxymethoxymethylsilane
CID 123794749
ethoxymethoxymethanamine
CID 23400789
1-(ethoxymethoxy)pentan-3-ol
CID 139715478
1-(2-bromoethoxy)nonane
CID 59341239
(E)-6-(ethoxymethoxy)hex-3-en-1-ol
CID 163205159
magnesium;bromoethane;ethoxyethane;hydride
CID 173109208

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(ethoxymethoxy)ethane?
The IUPAC name of 1-bromo-2-(ethoxymethoxy)ethane (CID 46942229) is 1-bromo-2-(ethoxymethoxy)ethane.
What is the SMILES notation for 1-bromo-2-(ethoxymethoxy)ethane?
The canonical SMILES for 1-bromo-2-(ethoxymethoxy)ethane is CCOCOCCBr.
What is the InChIKey of 1-bromo-2-(ethoxymethoxy)ethane?
The InChIKey is FPHSEBHPKKKYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO2/c1-2-7-5-8-4-3-6/h2-5H2,1H3.
What are the key properties of 1-bromo-2-(ethoxymethoxy)ethane?
1-bromo-2-(ethoxymethoxy)ethane has a molecular weight of 183.04 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(ethoxymethoxy)ethane is sourced from PubChem (CID 46942229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).