1-(5-ethyloctyl)-5-methyltetrazole

C12H24N4 — CID 129015503

IUPAC1-(5-ethyloctyl)-5-methyltetrazole
SMILESCCCC(CC)CCCCn1nnnc1C
InChIInChI=1S/C12H24N4/c1-4-8-12(5-2)9-6-7-10-16-11(3)13-14-15-16/h12H,4-10H2,1-3H3
InChIKeyCWJKTQYCPCQWBZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.98
Rot. Bonds8

About 1-(5-ethyloctyl)-5-methyltetrazole

1-(5-ethyloctyl)-5-methyltetrazole (PubChem CID 129015503) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(5-ethyloctyl)-5-methyltetrazole.

Molecular Properties

Compound Name1-(5-ethyloctyl)-5-methyltetrazole
PubChem CID129015503
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-(5-ethyloctyl)-5-methyltetrazole
SMILESCCCC(CC)CCCCn1nnnc1C
InChIInChI=1S/C12H24N4/c1-4-8-12(5-2)9-6-7-10-16-11(3)13-14-15-16/h12H,4-10H2,1-3H3
InChIKeyCWJKTQYCPCQWBZ-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-ethyloctyl)-5-methyltetrazole?
The IUPAC name of 1-(5-ethyloctyl)-5-methyltetrazole (CID 129015503) is 1-(5-ethyloctyl)-5-methyltetrazole.
What is the SMILES notation for 1-(5-ethyloctyl)-5-methyltetrazole?
The canonical SMILES for 1-(5-ethyloctyl)-5-methyltetrazole is CCCC(CC)CCCCn1nnnc1C.
What is the InChIKey of 1-(5-ethyloctyl)-5-methyltetrazole?
The InChIKey is CWJKTQYCPCQWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-8-12(5-2)9-6-7-10-16-11(3)13-14-15-16/h12H,4-10H2,1-3H3.
What are the key properties of 1-(5-ethyloctyl)-5-methyltetrazole?
1-(5-ethyloctyl)-5-methyltetrazole has a molecular weight of 224.35 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyloctyl)-5-methyltetrazole is sourced from PubChem (CID 129015503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).