2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol

C16H30O8 — CID 12527705

About 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol (PubChem CID 12527705) has the molecular formula C16H30O8 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 12527705
• Molecular Formula: C16H30O8
• Molecular Weight: 350.41 g/mol
• Exact Mass: 350.19
• IUPAC Name: 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOCC#CCOCCOCCOCCO
• InChI: InChI=1S/C16H30O8/c17-3-7-21-11-15-23-13-9-19-5-1-2-6-20-10-14-24-16-12-22-8-4-18/h17-18H,3-16H2
• InChIKey: ZKFBXWMFZWAWBO-UHFFFAOYSA-N
• XLogP: -0.93
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.41
LogP ≤ 5	-0.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol (CID 12527705) is 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCC#CCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol?

The InChIKey is ZKFBXWMFZWAWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O8/c17-3-7-21-11-15-23-13-9-19-5-1-2-6-20-10-14-24-16-12-22-8-4-18/h17-18H,3-16H2.

What are the key properties of 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol has a molecular weight of 350.41 g/mol, XLogP of -0.93, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 12527705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).