2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol

C20H38O9 — CID 87460591

About 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol (PubChem CID 87460591) has the molecular formula C20H38O9 and a molecular weight of 422.52 g/mol. Its IUPAC name is 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 87460591
• Molecular Formula: C20H38O9
• Molecular Weight: 422.52 g/mol
• Exact Mass: 422.25
• IUPAC Name: 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol
• SMILES: C=C(CCOCCOCCOCCO)OC(=C)CCOCCOCCOCCO
• InChI: InChI=1S/C20H38O9/c1-19(3-7-23-11-15-27-17-13-25-9-5-21)29-20(2)4-8-24-12-16-28-18-14-26-10-6-22/h21-22H,1-18H2
• InChIKey: VGVFEELJOWWGJT-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.52
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol (CID 87460591) is 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol is C=C(CCOCCOCCOCCO)OC(=C)CCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol?

The InChIKey is VGVFEELJOWWGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O9/c1-19(3-7-23-11-15-27-17-13-25-9-5-21)29-20(2)4-8-24-12-16-28-18-14-26-10-6-22/h21-22H,1-18H2.

What are the key properties of 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol has a molecular weight of 422.52 g/mol, XLogP of 0.89, 24 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-1-en-2-yloxy]but-3-enoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87460591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).