1-(2-bromoethoxy)-3-ethenoxypropane

C7H13BrO2 — CID 139639729

IUPAC1-(2-bromoethoxy)-3-ethenoxypropane
SMILESC=COCCCOCCBr
InChIInChI=1S/C7H13BrO2/c1-2-9-5-3-6-10-7-4-8/h2H,1,3-7H2
InChIKeyDGBJGUBHJQTIFW-UHFFFAOYSA-N
MW209.08 g/mol
LogP1.95
Rot. Bonds7

About 1-(2-bromoethoxy)-3-ethenoxypropane

1-(2-bromoethoxy)-3-ethenoxypropane (PubChem CID 139639729) has the molecular formula C7H13BrO2 and a molecular weight of 209.08 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-3-ethenoxypropane.

Molecular Properties

Compound Name1-(2-bromoethoxy)-3-ethenoxypropane
PubChem CID139639729
Molecular FormulaC7H13BrO2
Molecular Weight209.08 g/mol
Exact Mass208.01
IUPAC Name1-(2-bromoethoxy)-3-ethenoxypropane
SMILESC=COCCCOCCBr
InChIInChI=1S/C7H13BrO2/c1-2-9-5-3-6-10-7-4-8/h2H,1,3-7H2
InChIKeyDGBJGUBHJQTIFW-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-2-[2-(ethenyloxy)ethoxy]ethane
CID 102248152

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-3-ethenoxypropane?
The IUPAC name of 1-(2-bromoethoxy)-3-ethenoxypropane (CID 139639729) is 1-(2-bromoethoxy)-3-ethenoxypropane.
What is the SMILES notation for 1-(2-bromoethoxy)-3-ethenoxypropane?
The canonical SMILES for 1-(2-bromoethoxy)-3-ethenoxypropane is C=COCCCOCCBr.
What is the InChIKey of 1-(2-bromoethoxy)-3-ethenoxypropane?
The InChIKey is DGBJGUBHJQTIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO2/c1-2-9-5-3-6-10-7-4-8/h2H,1,3-7H2.
What are the key properties of 1-(2-bromoethoxy)-3-ethenoxypropane?
1-(2-bromoethoxy)-3-ethenoxypropane has a molecular weight of 209.08 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-3-ethenoxypropane is sourced from PubChem (CID 139639729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).