2-[4-(2-hydroxyethylperoxy)butoxy]ethanol

C8H18O5 — CID 174979631

About 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol

2-[4-(2-hydroxyethylperoxy)butoxy]ethanol (PubChem CID 174979631) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol.

Molecular Properties

• Compound Name: 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol
• PubChem CID: 174979631
• Molecular Formula: C8H18O5
• Molecular Weight: 194.23 g/mol
• Exact Mass: 194.12
• IUPAC Name: 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol
• SMILES: OCCOCCCCOOCCO
• InChI: InChI=1S/C8H18O5/c9-3-7-11-5-1-2-6-12-13-8-4-10/h9-10H,1-8H2
• InChIKey: LTHMOKWNVIAFJW-UHFFFAOYSA-N
• XLogP: -0.28
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.23
LogP ≤ 5	-0.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol?

The IUPAC name of 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol (CID 174979631) is 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol.

What is the SMILES notation for 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol?

The canonical SMILES for 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol is OCCOCCCCOOCCO.

What is the InChIKey of 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol?

The InChIKey is LTHMOKWNVIAFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5/c9-3-7-11-5-1-2-6-12-13-8-4-10/h9-10H,1-8H2.

What are the key properties of 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol?

2-[4-(2-hydroxyethylperoxy)butoxy]ethanol has a molecular weight of 194.23 g/mol, XLogP of -0.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-hydroxyethylperoxy)butoxy]ethanol is sourced from PubChem (CID 174979631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).