1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole

C18H35N3O4 — CID 174340368

About 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole

1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole (PubChem CID 174340368) has the molecular formula C18H35N3O4 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
• PubChem CID: 174340368
• Molecular Formula: C18H35N3O4
• Molecular Weight: 357.50 g/mol
• Exact Mass: 357.26
• IUPAC Name: 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
• SMILES: CC(C)(C)OCCOCCOCCn1cc(CCOC(C)(C)C)nn1
• InChI: InChI=1S/C18H35N3O4/c1-17(2,3)24-9-7-16-15-21(20-19-16)8-10-22-11-12-23-13-14-25-18(4,5)6/h15H,7-14H2,1-6H3
• InChIKey: HVUGDZAYRQAZGV-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 67.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.50
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole?

The IUPAC name of 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole (CID 174340368) is 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole.

What is the SMILES notation for 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole?

The canonical SMILES for 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole is CC(C)(C)OCCOCCOCCn1cc(CCOC(C)(C)C)nn1.

What is the InChIKey of 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole?

The InChIKey is HVUGDZAYRQAZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O4/c1-17(2,3)24-9-7-16-15-21(20-19-16)8-10-22-11-12-23-13-14-25-18(4,5)6/h15H,7-14H2,1-6H3.

What are the key properties of 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole?

1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole has a molecular weight of 357.50 g/mol, XLogP of 2.48, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole is sourced from PubChem (CID 174340368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).