Tert-butyl(2-chlorohex-5-en-2-yl)diazene

C₁₀H₁₉ClN₂ — CID 21454768

About Tert-butyl(2-chlorohex-5-en-2-yl)diazene

Tert-butyl(2-chlorohex-5-en-2-yl)diazene (PubChem CID 21454768) has the molecular formula C₁₀H₁₉ClN₂ and a molecular weight of 202.73 g/mol. Its IUPAC name is tert-butyl(2-chlorohex-5-en-2-yl)diazene.

Molecular Properties

• Compound Name: Tert-butyl(2-chlorohex-5-en-2-yl)diazene
• PubChem CID: 21454768
• Molecular Formula: C₁₀H₁₉ClN₂
• Molecular Weight: 202.73 g/mol
• Exact Mass: 202.12
• IUPAC Name: tert-butyl(2-chlorohex-5-en-2-yl)diazene
• SMILES: C=CCCC(C)(Cl)/N=N/C(C)(C)C
• InChI: InChI=1S/C10H19ClN2/c1-6-7-8-10(5,11)13-12-9(2,3)4/h6H,1,7-8H2,2-5H3/b13-12+
• InChIKey: DDAIMTKKMUFDEA-OUKQBFOZSA-N
• XLogP: 4.16
• TPSA: 24.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.73
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl(2-chlorohex-5-en-2-yl)diazene?

The IUPAC name of Tert-butyl(2-chlorohex-5-en-2-yl)diazene (CID 21454768) is tert-butyl(2-chlorohex-5-en-2-yl)diazene.

What is the SMILES notation for Tert-butyl(2-chlorohex-5-en-2-yl)diazene?

The canonical SMILES for Tert-butyl(2-chlorohex-5-en-2-yl)diazene is C=CCCC(C)(Cl)/N=N/C(C)(C)C.

What is the InChIKey of Tert-butyl(2-chlorohex-5-en-2-yl)diazene?

The InChIKey is DDAIMTKKMUFDEA-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-6-7-8-10(5,11)13-12-9(2,3)4/h6H,1,7-8H2,2-5H3/b13-12+.

What are the key properties of Tert-butyl(2-chlorohex-5-en-2-yl)diazene?

Tert-butyl(2-chlorohex-5-en-2-yl)diazene has a molecular weight of 202.73 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl(2-chlorohex-5-en-2-yl)diazene is sourced from PubChem (CID 21454768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 21454768 — identifiers, structure, computed properties (public domain)

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