1-(6-hexoxyhexyl)tetrazole

C13H26N4O — CID 91580624

IUPAC1-(6-hexoxyhexyl)tetrazole
SMILESCCCCCCOCCCCCCn1cnnn1
InChIInChI=1S/C13H26N4O/c1-2-3-4-8-11-18-12-9-6-5-7-10-17-13-14-15-16-17/h13H,2-12H2,1H3
InChIKeyAMWJVALKLKHQRY-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.83
Rot. Bonds12

About 1-(6-hexoxyhexyl)tetrazole

1-(6-hexoxyhexyl)tetrazole (PubChem CID 91580624) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(6-hexoxyhexyl)tetrazole.

Molecular Properties

Compound Name1-(6-hexoxyhexyl)tetrazole
PubChem CID91580624
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-(6-hexoxyhexyl)tetrazole
SMILESCCCCCCOCCCCCCn1cnnn1
InChIInChI=1S/C13H26N4O/c1-2-3-4-8-11-18-12-9-6-5-7-10-17-13-14-15-16-17/h13H,2-12H2,1H3
InChIKeyAMWJVALKLKHQRY-UHFFFAOYSA-N
XLogP2.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(6-hexoxyhexyl)tetrazole?
The IUPAC name of 1-(6-hexoxyhexyl)tetrazole (CID 91580624) is 1-(6-hexoxyhexyl)tetrazole.
What is the SMILES notation for 1-(6-hexoxyhexyl)tetrazole?
The canonical SMILES for 1-(6-hexoxyhexyl)tetrazole is CCCCCCOCCCCCCn1cnnn1.
What is the InChIKey of 1-(6-hexoxyhexyl)tetrazole?
The InChIKey is AMWJVALKLKHQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-3-4-8-11-18-12-9-6-5-7-10-17-13-14-15-16-17/h13H,2-12H2,1H3.
What are the key properties of 1-(6-hexoxyhexyl)tetrazole?
1-(6-hexoxyhexyl)tetrazole has a molecular weight of 254.38 g/mol, XLogP of 2.83, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hexoxyhexyl)tetrazole is sourced from PubChem (CID 91580624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).