8-cyclooctyl-2-diazenylcyclooctene-1-diazonium

C16H27N4+ — CID 56614195

IUPAC8-cyclooctyl-2-diazenylcyclooctene-1-diazonium
SMILES[H]/N=N/C1=C([N+]#N)C(C2CCCCCCC2)CCCCC1
InChIInChI=1S/C16H27N4/c17-19-15-12-8-4-7-11-14(16(15)20-18)13-9-5-2-1-3-6-10-13/h13-14,17H,1-12H2/q+1/b16-15?,19-17+
InChIKeyLFQAIDUFVXMIDV-CKFCKHDBSA-N
MW275.42 g/mol
LogP6.02
Rot. Bonds2

About 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium

8-cyclooctyl-2-diazenylcyclooctene-1-diazonium (PubChem CID 56614195) has the molecular formula C16H27N4+ and a molecular weight of 275.42 g/mol. Its IUPAC name is 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium.

Molecular Properties

Compound Name8-cyclooctyl-2-diazenylcyclooctene-1-diazonium
PubChem CID56614195
Molecular FormulaC16H27N4+
Molecular Weight275.42 g/mol
Exact Mass275.22
IUPAC Name8-cyclooctyl-2-diazenylcyclooctene-1-diazonium
SMILES[H]/N=N/C1=C([N+]#N)C(C2CCCCCCC2)CCCCC1
InChIInChI=1S/C16H27N4/c17-19-15-12-8-4-7-11-14(16(15)20-18)13-9-5-2-1-3-6-10-13/h13-14,17H,1-12H2/q+1/b16-15?,19-17+
InChIKeyLFQAIDUFVXMIDV-CKFCKHDBSA-N
XLogP6.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.42
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium?
The IUPAC name of 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium (CID 56614195) is 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium.
What is the SMILES notation for 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium?
The canonical SMILES for 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium is [H]/N=N/C1=C([N+]#N)C(C2CCCCCCC2)CCCCC1.
What is the InChIKey of 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium?
The InChIKey is LFQAIDUFVXMIDV-CKFCKHDBSA-N. The full InChI is InChI=1S/C16H27N4/c17-19-15-12-8-4-7-11-14(16(15)20-18)13-9-5-2-1-3-6-10-13/h13-14,17H,1-12H2/q+1/b16-15?,19-17+.
What are the key properties of 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium?
8-cyclooctyl-2-diazenylcyclooctene-1-diazonium has a molecular weight of 275.42 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclooctyl-2-diazenylcyclooctene-1-diazonium is sourced from PubChem (CID 56614195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).