1-(2-bromoethoxy)-2-ethenoxyethane

C6H11BrO2 — CID 102248152

IUPAC1-(2-bromoethoxy)-2-ethenoxyethane
SMILESC=COCCOCCBr
InChIInChI=1S/C6H11BrO2/c1-2-8-5-6-9-4-3-7/h2H,1,3-6H2
InChIKeyHHBBNJODUQNMSI-UHFFFAOYSA-N
MW195.06 g/mol
LogP1.56
Rot. Bonds6

About 1-(2-bromoethoxy)-2-ethenoxyethane

1-(2-bromoethoxy)-2-ethenoxyethane (PubChem CID 102248152) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-2-ethenoxyethane.

Molecular Properties

Compound Name1-(2-bromoethoxy)-2-ethenoxyethane
PubChem CID102248152
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Name1-(2-bromoethoxy)-2-ethenoxyethane
SMILESC=COCCOCCBr
InChIInChI=1S/C6H11BrO2/c1-2-8-5-6-9-4-3-7/h2H,1,3-6H2
InChIKeyHHBBNJODUQNMSI-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-2-ethenoxyethane?
The IUPAC name of 1-(2-bromoethoxy)-2-ethenoxyethane (CID 102248152) is 1-(2-bromoethoxy)-2-ethenoxyethane.
What is the SMILES notation for 1-(2-bromoethoxy)-2-ethenoxyethane?
The canonical SMILES for 1-(2-bromoethoxy)-2-ethenoxyethane is C=COCCOCCBr.
What is the InChIKey of 1-(2-bromoethoxy)-2-ethenoxyethane?
The InChIKey is HHBBNJODUQNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-2-8-5-6-9-4-3-7/h2H,1,3-6H2.
What are the key properties of 1-(2-bromoethoxy)-2-ethenoxyethane?
1-(2-bromoethoxy)-2-ethenoxyethane has a molecular weight of 195.06 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-2-ethenoxyethane is sourced from PubChem (CID 102248152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).