5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole

C8H16N4O3 — CID 104564181

IUPAC5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole
SMILESCOCCOCCOCCc1nn[nH]n1
InChIInChI=1S/C8H16N4O3/c1-13-4-5-15-7-6-14-3-2-8-9-11-12-10-8/h2-7H2,1H3,(H,9,10,11,12)
InChIKeyRALIWDOPVDAHBJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.58
Rot. Bonds9

About 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole

5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole (PubChem CID 104564181) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole
PubChem CID104564181
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole
SMILESCOCCOCCOCCc1nn[nH]n1
InChIInChI=1S/C8H16N4O3/c1-13-4-5-15-7-6-14-3-2-8-9-11-12-10-8/h2-7H2,1H3,(H,9,10,11,12)
InChIKeyRALIWDOPVDAHBJ-UHFFFAOYSA-N
XLogP-0.58
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.58
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 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole (CID 104564181) is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole is COCCOCCOCCc1nn[nH]n1.
What is the InChIKey of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole?
The InChIKey is RALIWDOPVDAHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-13-4-5-15-7-6-14-3-2-8-9-11-12-10-8/h2-7H2,1H3,(H,9,10,11,12).
What are the key properties of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole?
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole has a molecular weight of 216.24 g/mol, XLogP of -0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole is sourced from PubChem (CID 104564181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).