3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C32H52I2O16 — CID 102211812

About 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 102211812) has the molecular formula C32H52I2O16 and a molecular weight of 946.56 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• PubChem CID: 102211812
• Molecular Formula: C32H52I2O16
• Molecular Weight: 946.56 g/mol
• Exact Mass: 946.13
• IUPAC Name: 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• SMILES: O=C(O)CCOCCOCCOCCOCCOCCOc1cc(I)c(OCCOCCOCCOCCOCCOCCC(=O)O)cc1I
• InChI: InChI=1S/C32H52I2O16/c33-27-26-30(50-24-22-48-20-18-46-16-14-44-12-10-42-8-6-40-4-2-32(37)38)28(34)25-29(27)49-23-21-47-19-17-45-15-13-43-11-9-41-7-5-39-3-1-31(35)36/h25-26H,1-24H2,(H,35,36)(H,37,38)
• InChIKey: UELGJRROCPNANI-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 185.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.56
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The IUPAC name of 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 102211812) is 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

What is the SMILES notation for 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The canonical SMILES for 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCOCCOCCOCCOc1cc(I)c(OCCOCCOCCOCCOCCOCCC(=O)O)cc1I.

What is the InChIKey of 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The InChIKey is UELGJRROCPNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52I2O16/c33-27-26-30(50-24-22-48-20-18-46-16-14-44-12-10-42-8-6-40-4-2-32(37)38)28(34)25-29(27)49-23-21-47-19-17-45-15-13-43-11-9-41-7-5-39-3-1-31(35)36/h25-26H,1-24H2,(H,35,36)(H,37,38).

What are the key properties of 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 946.56 g/mol, XLogP of 2.77, 38 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,5-diiodophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 102211812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).