5-(5-ethylundecyl)-2H-tetrazole

C14H28N4 — CID 129015561

IUPAC5-(5-ethylundecyl)-2H-tetrazole
SMILESCCCCCCC(CC)CCCCc1nn[nH]n1
InChIInChI=1S/C14H28N4/c1-3-5-6-7-10-13(4-2)11-8-9-12-14-15-17-18-16-14/h13H,3-12H2,1-2H3,(H,15,16,17,18)
InChIKeyYEGQBSILRHVFHS-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.91
Rot. Bonds11

About 5-(5-ethylundecyl)-2H-tetrazole

5-(5-ethylundecyl)-2H-tetrazole (PubChem CID 129015561) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 5-(5-ethylundecyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-ethylundecyl)-2H-tetrazole
PubChem CID129015561
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name5-(5-ethylundecyl)-2H-tetrazole
SMILESCCCCCCC(CC)CCCCc1nn[nH]n1
InChIInChI=1S/C14H28N4/c1-3-5-6-7-10-13(4-2)11-8-9-12-14-15-17-18-16-14/h13H,3-12H2,1-2H3,(H,15,16,17,18)
InChIKeyYEGQBSILRHVFHS-UHFFFAOYSA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-pentyl-2H-tetrazole
CID 139080284
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
5-(5-methylhexyl)-2H-tetrazole
CID 21044006
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
4-ethylnonadecane
CID 22223766
4-ethylhexadecane
CID 528433
3-ethylpentacosane
CID 22224239

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylundecyl)-2H-tetrazole?
The IUPAC name of 5-(5-ethylundecyl)-2H-tetrazole (CID 129015561) is 5-(5-ethylundecyl)-2H-tetrazole.
What is the SMILES notation for 5-(5-ethylundecyl)-2H-tetrazole?
The canonical SMILES for 5-(5-ethylundecyl)-2H-tetrazole is CCCCCCC(CC)CCCCc1nn[nH]n1.
What is the InChIKey of 5-(5-ethylundecyl)-2H-tetrazole?
The InChIKey is YEGQBSILRHVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-3-5-6-7-10-13(4-2)11-8-9-12-14-15-17-18-16-14/h13H,3-12H2,1-2H3,(H,15,16,17,18).
What are the key properties of 5-(5-ethylundecyl)-2H-tetrazole?
5-(5-ethylundecyl)-2H-tetrazole has a molecular weight of 252.41 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylundecyl)-2H-tetrazole is sourced from PubChem (CID 129015561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).