bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate

C6H11BrO5 — CID 88794483

IUPACbromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate
SMILESO=C(COCCOCCO)OBr
InChIInChI=1S/C6H11BrO5/c7-12-6(9)5-11-4-3-10-2-1-8/h8H,1-5H2
InChIKeyLJUXWHBZPLLKHF-UHFFFAOYSA-N
MW243.05 g/mol
LogP-0.14
Rot. Bonds7

About bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate

bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate (PubChem CID 88794483) has the molecular formula C6H11BrO5 and a molecular weight of 243.05 g/mol. Its IUPAC name is bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Namebromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate
PubChem CID88794483
Molecular FormulaC6H11BrO5
Molecular Weight243.05 g/mol
Exact Mass241.98
IUPAC Namebromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate
SMILESO=C(COCCOCCO)OBr
InChIInChI=1S/C6H11BrO5/c7-12-6(9)5-11-4-3-10-2-1-8/h8H,1-5H2
InChIKeyLJUXWHBZPLLKHF-UHFFFAOYSA-N
XLogP-0.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
propan-2-yl 2-[2-(2-hydroxyethoxy)ethoxy]acetate
CID 21252463
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 87940620
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate;methyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;methyl 2-[2-(2-propoxyethoxy)ethoxy]acetate;2-(2-propoxyethoxy)ethanol
CID 164983216
2-[2-(2-hydroxyethoxy)ethoxy]-N-methylacetamide
CID 142368848
sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 165437635
2-hydroxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 89335771

Frequently Asked Questions

What is the IUPAC name of bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
The IUPAC name of bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate (CID 88794483) is bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate.
What is the SMILES notation for bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
The canonical SMILES for bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate is O=C(COCCOCCO)OBr.
What is the InChIKey of bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
The InChIKey is LJUXWHBZPLLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrO5/c7-12-6(9)5-11-4-3-10-2-1-8/h8H,1-5H2.
What are the key properties of bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate?
bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate has a molecular weight of 243.05 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 2-[2-(2-hydroxyethoxy)ethoxy]acetate is sourced from PubChem (CID 88794483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).