5-(6-hexoxyhexyl)-2H-tetrazole

C13H26N4O — CID 68731797

IUPAC5-(6-hexoxyhexyl)-2H-tetrazole
SMILESCCCCCCOCCCCCCc1nn[nH]n1
InChIInChI=1S/C13H26N4O/c1-2-3-4-8-11-18-12-9-6-5-7-10-13-14-16-17-15-13/h2-12H2,1H3,(H,14,15,16,17)
InChIKeyGFRAIKVGURQDFY-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.90
Rot. Bonds12

About 5-(6-hexoxyhexyl)-2H-tetrazole

5-(6-hexoxyhexyl)-2H-tetrazole (PubChem CID 68731797) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 5-(6-hexoxyhexyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(6-hexoxyhexyl)-2H-tetrazole
PubChem CID68731797
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name5-(6-hexoxyhexyl)-2H-tetrazole
SMILESCCCCCCOCCCCCCc1nn[nH]n1
InChIInChI=1S/C13H26N4O/c1-2-3-4-8-11-18-12-9-6-5-7-10-13-14-16-17-15-13/h2-12H2,1H3,(H,14,15,16,17)
InChIKeyGFRAIKVGURQDFY-UHFFFAOYSA-N
XLogP2.90
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-pentyl-2H-tetrazole
CID 139080284
5-[(Z)-heptadec-8-enyl]-2H-tetrazole
CID 11088104
5-(5-ethylundecyl)-2H-tetrazole
CID 129015561
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 5-(6-hexoxyhexyl)-2H-tetrazole?
The IUPAC name of 5-(6-hexoxyhexyl)-2H-tetrazole (CID 68731797) is 5-(6-hexoxyhexyl)-2H-tetrazole.
What is the SMILES notation for 5-(6-hexoxyhexyl)-2H-tetrazole?
The canonical SMILES for 5-(6-hexoxyhexyl)-2H-tetrazole is CCCCCCOCCCCCCc1nn[nH]n1.
What is the InChIKey of 5-(6-hexoxyhexyl)-2H-tetrazole?
The InChIKey is GFRAIKVGURQDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-3-4-8-11-18-12-9-6-5-7-10-13-14-16-17-15-13/h2-12H2,1H3,(H,14,15,16,17).
What are the key properties of 5-(6-hexoxyhexyl)-2H-tetrazole?
5-(6-hexoxyhexyl)-2H-tetrazole has a molecular weight of 254.38 g/mol, XLogP of 2.90, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hexoxyhexyl)-2H-tetrazole is sourced from PubChem (CID 68731797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).