2-Ethoxy-2-undecoxyacetic acid

C₁₅H₃₀O₄ — CID 122610994

About 2-Ethoxy-2-undecoxyacetic acid

2-Ethoxy-2-undecoxyacetic acid (PubChem CID 122610994) has the molecular formula C₁₅H₃₀O₄ and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-ethoxy-2-undecoxyacetic acid.

Molecular Properties

• Compound Name: 2-Ethoxy-2-undecoxyacetic acid
• PubChem CID: 122610994
• Molecular Formula: C₁₅H₃₀O₄
• Molecular Weight: 274.40 g/mol
• Exact Mass: 274.21
• IUPAC Name: 2-ethoxy-2-undecoxyacetic acid
• SMILES: CCCCCCCCCCCOC(OCC)C(=O)O
• InChI: InChI=1S/C15H30O4/c1-3-5-6-7-8-9-10-11-12-13-19-15(14(16)17)18-4-2/h15H,3-13H2,1-2H3,(H,16,17)
• InChIKey: SJJRYVOWPSMSPD-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.40
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-Ethoxy-2-undecoxyacetic acid?

The IUPAC name of 2-Ethoxy-2-undecoxyacetic acid (CID 122610994) is 2-ethoxy-2-undecoxyacetic acid.

What is the SMILES notation for 2-Ethoxy-2-undecoxyacetic acid?

The canonical SMILES for 2-Ethoxy-2-undecoxyacetic acid is CCCCCCCCCCCOC(OCC)C(=O)O.

What is the InChIKey of 2-Ethoxy-2-undecoxyacetic acid?

The InChIKey is SJJRYVOWPSMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-3-5-6-7-8-9-10-11-12-13-19-15(14(16)17)18-4-2/h15H,3-13H2,1-2H3,(H,16,17).

What are the key properties of 2-Ethoxy-2-undecoxyacetic acid?

2-Ethoxy-2-undecoxyacetic acid has a molecular weight of 274.40 g/mol, XLogP of 3.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Ethoxy-2-undecoxyacetic acid is sourced from PubChem (CID 122610994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122610994 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.