3-[2-(2-iodoethoxy)ethoxy]propanoic acid

C7H13IO4 — CID 137354402

IUPAC3-[2-(2-iodoethoxy)ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCI
InChIInChI=1S/C7H13IO4/c8-2-4-12-6-5-11-3-1-7(9)10/h1-6H2,(H,9,10)
InChIKeyBURHAZLANYBZOZ-UHFFFAOYSA-N
MW288.08 g/mol
LogP0.93
Rot. Bonds8

About 3-[2-(2-iodoethoxy)ethoxy]propanoic acid

3-[2-(2-iodoethoxy)ethoxy]propanoic acid (PubChem CID 137354402) has the molecular formula C7H13IO4 and a molecular weight of 288.08 g/mol. Its IUPAC name is 3-[2-(2-iodoethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-iodoethoxy)ethoxy]propanoic acid
PubChem CID137354402
Molecular FormulaC7H13IO4
Molecular Weight288.08 g/mol
Exact Mass287.99
IUPAC Name3-[2-(2-iodoethoxy)ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCI
InChIInChI=1S/C7H13IO4/c8-2-4-12-6-5-11-3-1-7(9)10/h1-6H2,(H,9,10)
InChIKeyBURHAZLANYBZOZ-UHFFFAOYSA-N
XLogP0.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.08
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
4-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]butanoic acid
CID 75202538
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 167163889
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
3-(2-aminoperoxyethoxy)propanoic acid
CID 174249816
CID 172913435
CID 172913435

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-iodoethoxy)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(2-iodoethoxy)ethoxy]propanoic acid (CID 137354402) is 3-[2-(2-iodoethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(2-iodoethoxy)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(2-iodoethoxy)ethoxy]propanoic acid is O=C(O)CCOCCOCCI.
What is the InChIKey of 3-[2-(2-iodoethoxy)ethoxy]propanoic acid?
The InChIKey is BURHAZLANYBZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO4/c8-2-4-12-6-5-11-3-1-7(9)10/h1-6H2,(H,9,10).
What are the key properties of 3-[2-(2-iodoethoxy)ethoxy]propanoic acid?
3-[2-(2-iodoethoxy)ethoxy]propanoic acid has a molecular weight of 288.08 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-iodoethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 137354402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).