4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole

C25H49N3O10 — CID 70934862

IUPAC4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole
SMILESCCOCCOCCOCCOCc1cn(CCCOCCOCCOCCOCCOCCOC)nn1
InChIInChI=1S/C25H49N3O10/c1-3-30-9-10-33-15-20-37-21-22-38-24-25-23-28(27-26-25)5-4-6-31-11-12-34-16-17-36-19-18-35-14-13-32-8-7-29-2/h23H,3-22,24H2,1-2H3
InChIKeyFPBYGMJJPMHGFF-UHFFFAOYSA-N
MW551.68 g/mol
LogP0.98
Rot. Bonds31

About 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole

4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole (PubChem CID 70934862) has the molecular formula C25H49N3O10 and a molecular weight of 551.68 g/mol. Its IUPAC name is 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole.

Molecular Properties

Compound Name4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole
PubChem CID70934862
Molecular FormulaC25H49N3O10
Molecular Weight551.68 g/mol
Exact Mass551.34
IUPAC Name4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole
SMILESCCOCCOCCOCCOCc1cn(CCCOCCOCCOCCOCCOCCOC)nn1
InChIInChI=1S/C25H49N3O10/c1-3-30-9-10-33-15-20-37-21-22-38-24-25-23-28(27-26-25)5-4-6-31-11-12-34-16-17-36-19-18-35-14-13-32-8-7-29-2/h23H,3-22,24H2,1-2H3
InChIKeyFPBYGMJJPMHGFF-UHFFFAOYSA-N
XLogP0.98
TPSA123.01 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.68
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

1-Decyl-3-methyl-4-(oxiran-2-ylmethoxymethyl)triazol-1-ium iodide
CID 168296711
4-(Diethoxymethyl)-1-prop-2-enyltriazole
CID 44454609
4-(Ethoxymethyl)-1-ethyltriazole
CID 13230240
4-(methoxymethyl)-1-methyl-1H-1,2,3-triazole
CID 59518209
1-ethyl-4-(methoxymethyl)-1H-1,2,3-triazole
CID 91565422
4-(Diethoxymethyl)-1-(2-fluoroethyl)triazole
CID 80697912
4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxymethyl]-1-(2-methylpropyl)triazole
CID 88993182
1-(2-Fluoroethyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole
CID 89547540
1-(2-Fluoroethyl)-4-(methoxymethyl)triazole
CID 89548654
4-(Ethoxymethyl)-1-(2-fluoroethyl)triazole
CID 89548703
1-(2-Fluoroethyl)-4-(propan-2-yloxymethyl)triazole
CID 164101150
1-Ethyl-4-(2-fluoroethoxymethyl)triazole
CID 171649238

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole?
The IUPAC name of 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole (CID 70934862) is 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole.
What is the SMILES notation for 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole?
The canonical SMILES for 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole is CCOCCOCCOCCOCc1cn(CCCOCCOCCOCCOCCOCCOC)nn1.
What is the InChIKey of 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole?
The InChIKey is FPBYGMJJPMHGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N3O10/c1-3-30-9-10-33-15-20-37-21-22-38-24-25-23-28(27-26-25)5-4-6-31-11-12-34-16-17-36-19-18-35-14-13-32-8-7-29-2/h23H,3-22,24H2,1-2H3.
What are the key properties of 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole?
4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole has a molecular weight of 551.68 g/mol, XLogP of 0.98, 31 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-1-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazole is sourced from PubChem (CID 70934862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).