1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole

C19H37N3O8 — CID 58559417

IUPAC1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
SMILESCOCCOCCOCCOCCn1cc(COCCOCCOCCOC)nn1
InChIInChI=1S/C19H37N3O8/c1-23-5-7-26-11-13-28-10-9-25-4-3-22-17-19(20-21-22)18-30-16-15-29-14-12-27-8-6-24-2/h17H,3-16,18H2,1-2H3
InChIKeyMOROLVKVTUWKDG-UHFFFAOYSA-N
MW435.52 g/mol
LogP0.17
Rot. Bonds23

About 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole

1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole (PubChem CID 58559417) has the molecular formula C19H37N3O8 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole.

Molecular Properties

Compound Name1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
PubChem CID58559417
Molecular FormulaC19H37N3O8
Molecular Weight435.52 g/mol
Exact Mass435.26
IUPAC Name1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole
SMILESCOCCOCCOCCOCCn1cc(COCCOCCOCCOC)nn1
InChIInChI=1S/C19H37N3O8/c1-23-5-7-26-11-13-28-10-9-25-4-3-22-17-19(20-21-22)18-30-16-15-29-14-12-27-8-6-24-2/h17H,3-16,18H2,1-2H3
InChIKeyMOROLVKVTUWKDG-UHFFFAOYSA-N
XLogP0.17
TPSA104.55 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole?
The IUPAC name of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole (CID 58559417) is 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole.
What is the SMILES notation for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole?
The canonical SMILES for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole is COCCOCCOCCOCCn1cc(COCCOCCOCCOC)nn1.
What is the InChIKey of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole?
The InChIKey is MOROLVKVTUWKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O8/c1-23-5-7-26-11-13-28-10-9-25-4-3-22-17-19(20-21-22)18-30-16-15-29-14-12-27-8-6-24-2/h17H,3-16,18H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole?
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole has a molecular weight of 435.52 g/mol, XLogP of 0.17, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]triazole is sourced from PubChem (CID 58559417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).