3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal

C13H25BrO6 — CID 153358497

IUPAC3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal
SMILESO=CCCOCCOCCOCCOCCOCCBr
InChIInChI=1S/C13H25BrO6/c14-2-5-17-7-9-19-11-13-20-12-10-18-8-6-16-4-1-3-15/h3H,1-2,4-13H2
InChIKeyBXAJSLIXZQBHES-UHFFFAOYSA-N
MW357.24 g/mol
LogP1.05
Rot. Bonds17

About 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal

3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal (PubChem CID 153358497) has the molecular formula C13H25BrO6 and a molecular weight of 357.24 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal
PubChem CID153358497
Molecular FormulaC13H25BrO6
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal
SMILESO=CCCOCCOCCOCCOCCOCCBr
InChIInChI=1S/C13H25BrO6/c14-2-5-17-7-9-19-11-13-20-12-10-18-8-6-16-4-1-3-15/h3H,1-2,4-13H2
InChIKeyBXAJSLIXZQBHES-UHFFFAOYSA-N
XLogP1.05
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435287
3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 122674478
3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 142541939
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
3-[2-[bis[2-(3-oxopropoxy)ethyl]amino]ethoxy]propanal
CID 139446928
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364
3-[2-(3-methylbutoxy)ethoxy]propanal
CID 122463238
3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
CID 177180522
3-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 167163889

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal?
The IUPAC name of 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal (CID 153358497) is 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal.
What is the SMILES notation for 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal?
The canonical SMILES for 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal is O=CCCOCCOCCOCCOCCOCCBr.
What is the InChIKey of 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal?
The InChIKey is BXAJSLIXZQBHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO6/c14-2-5-17-7-9-19-11-13-20-12-10-18-8-6-16-4-1-3-15/h3H,1-2,4-13H2.
What are the key properties of 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal?
3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal has a molecular weight of 357.24 g/mol, XLogP of 1.05, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanal is sourced from PubChem (CID 153358497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).