4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid

C17H32O9 — CID 88546918

About 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid

4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid (PubChem CID 88546918) has the molecular formula C17H32O9 and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid
• PubChem CID: 88546918
• Molecular Formula: C17H32O9
• Molecular Weight: 380.43 g/mol
• Exact Mass: 380.20
• IUPAC Name: 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid
• SMILES: COC(CCCCOCCOCCO)COCCOC(=O)CCC(=O)O
• InChI: InChI=1S/C17H32O9/c1-22-15(4-2-3-8-23-10-11-24-9-7-18)14-25-12-13-26-17(21)6-5-16(19)20/h15,18H,2-14H2,1H3,(H,19,20)
• InChIKey: WIDMLWCJYZXEER-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 120.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.43
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid?

The IUPAC name of 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid (CID 88546918) is 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid.

What is the SMILES notation for 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid?

The canonical SMILES for 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid is COC(CCCCOCCOCCO)COCCOC(=O)CCC(=O)O.

What is the InChIKey of 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid?

The InChIKey is WIDMLWCJYZXEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O9/c1-22-15(4-2-3-8-23-10-11-24-9-7-18)14-25-12-13-26-17(21)6-5-16(19)20/h15,18H,2-14H2,1H3,(H,19,20).

What are the key properties of 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid?

4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid has a molecular weight of 380.43 g/mol, XLogP of 0.62, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-[2-(2-hydroxyethoxy)ethoxy]-2-methoxyhexoxy]ethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 88546918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).