(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene

C₁₄H₁₈Cl₂N₂ — CID 50908467

About (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene

(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene (PubChem CID 50908467) has the molecular formula C₁₄H₁₈Cl₂N₂ and a molecular weight of 285.22 g/mol. Its IUPAC name is (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene.

Molecular Properties

• Compound Name: (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene
• PubChem CID: 50908467
• Molecular Formula: C₁₄H₁₈Cl₂N₂
• Molecular Weight: 285.22 g/mol
• Exact Mass: 284.08
• IUPAC Name: (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene
• SMILES: C=C(C)CCCC(C)(Cl)/N=N/c1ccc(Cl)cc1
• InChI: InChI=1S/C14H18Cl2N2/c1-11(2)5-4-10-14(3,16)18-17-13-8-6-12(15)7-9-13/h6-9H,1,4-5,10H2,2-3H3/b18-17+
• InChIKey: YDSIPXUYUPQFIW-ISLYRVAYSA-N
• XLogP: 6.13
• TPSA: 24.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	285.22
LogP ≤ 5	6.13
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 (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene?

The IUPAC name of (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene (CID 50908467) is (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene.

What is the SMILES notation for (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene?

The canonical SMILES for (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene is C=C(C)CCCC(C)(Cl)/N=N/c1ccc(Cl)cc1.

What is the InChIKey of (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene?

The InChIKey is YDSIPXUYUPQFIW-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-11(2)5-4-10-14(3,16)18-17-13-8-6-12(15)7-9-13/h6-9H,1,4-5,10H2,2-3H3/b18-17+.

What are the key properties of (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene?

(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene has a molecular weight of 285.22 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene is sourced from PubChem (CID 50908467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50908467 — identifiers, structure, computed properties (public domain)

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