2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol

C10H17N3O3 — CID 102409372

IUPAC2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol
SMILESC=Cc1cn(CCOCCOCCO)nn1
InChIInChI=1S/C10H17N3O3/c1-2-10-9-13(12-11-10)3-5-15-7-8-16-6-4-14/h2,9,14H,1,3-8H2
InChIKeyIGUMZUPEUYEUAH-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.05
Rot. Bonds9

About 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol

2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol (PubChem CID 102409372) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol
PubChem CID102409372
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol
SMILESC=Cc1cn(CCOCCOCCO)nn1
InChIInChI=1S/C10H17N3O3/c1-2-10-9-13(12-11-10)3-5-15-7-8-16-6-4-14/h2,9,14H,1,3-8H2
InChIKeyIGUMZUPEUYEUAH-UHFFFAOYSA-N
XLogP-0.05
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol (CID 102409372) is 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol is C=Cc1cn(CCOCCOCCO)nn1.
What is the InChIKey of 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol?
The InChIKey is IGUMZUPEUYEUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-2-10-9-13(12-11-10)3-5-15-7-8-16-6-4-14/h2,9,14H,1,3-8H2.
What are the key properties of 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol?
2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol has a molecular weight of 227.26 g/mol, XLogP of -0.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-ethenyltriazol-1-yl)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 102409372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).