2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene

C17H37N3O5 — CID 158929740

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene (PubChem CID 158929740) has the molecular formula C17H37N3O5 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene.

Molecular Properties

• Compound Name: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene
• PubChem CID: 158929740
• Molecular Formula: C17H37N3O5
• Molecular Weight: 363.50 g/mol
• Exact Mass: 363.27
• IUPAC Name: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene
• SMILES: C1=N\CCCNCCCNCC/1.OCCOCCOCCOCCO
• InChI: InChI=1S/C9H19N3.C8H18O5/c1-4-10-6-2-8-12-9-3-7-11-5-1;9-1-3-11-5-7-13-8-6-12-4-2-10/h4,11-12H,1-3,5-9H2;9-10H,1-8H2/b10-4-
• InChIKey: JIXAAWLRJBULDR-MDZFRNKHSA-N
• XLogP: -0.56
• TPSA: 104.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.50
LogP ≤ 5	-0.56
H-Bond Donors ≤ 5	4
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 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene?

The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene (CID 158929740) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene.

What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene?

The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene is C1=N\CCCNCCCNCC/1.OCCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene?

The InChIKey is JIXAAWLRJBULDR-MDZFRNKHSA-N. The full InChI is InChI=1S/C9H19N3.C8H18O5/c1-4-10-6-2-8-12-9-3-7-11-5-1;9-1-3-11-5-7-13-8-6-12-4-2-10/h4,11-12H,1-3,5-9H2;9-10H,1-8H2/b10-4-;.

What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene?

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene has a molecular weight of 363.50 g/mol, XLogP of -0.56, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1,5,9-triazacyclododec-9-ene is sourced from PubChem (CID 158929740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).