tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate

C12H23BrO5 — CID 126480423

IUPACtert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCBr
InChIInChI=1S/C12H23BrO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10H2,1-3H3
InChIKeyWDLOTPAWUBQPND-UHFFFAOYSA-N
MW327.22 g/mol
LogP1.77
Rot. Bonds10

About tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate (PubChem CID 126480423) has the molecular formula C12H23BrO5 and a molecular weight of 327.22 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
PubChem CID126480423
Molecular FormulaC12H23BrO5
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Nametert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
SMILESCC(C)(C)OC(=O)COCCOCCOCCBr
InChIInChI=1S/C12H23BrO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10H2,1-3H3
InChIKeyWDLOTPAWUBQPND-UHFFFAOYSA-N
XLogP1.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
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tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 129012181
tert-butyl 2-[2-(3,3-dimethylbutoxy)ethoxy]acetate
CID 176640180
tert-butyl 2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]acetate
CID 170899127
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CID 71514615
tert-butyl 2-(2-chloroethoxy)acetate
CID 12573419
tert-butyl 2-[2-(2-acetylsulfanylethoxy)ethoxy]acetate
CID 167520638
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731
tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate
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tert-butyl 2-(3-hexoxypropoxy)acetate
CID 122428498
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate (CID 126480423) is tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate is CC(C)(C)OC(=O)COCCOCCOCCBr.
What is the InChIKey of tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate?
The InChIKey is WDLOTPAWUBQPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10H2,1-3H3.
What are the key properties of tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate?
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate has a molecular weight of 327.22 g/mol, XLogP of 1.77, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 126480423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).