(1Z,4Z)-1,6-dimethylcycloocta-1,4-diene

C₁₀H₁₆ — CID 156675048

About (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene

(1Z,4Z)-1,6-dimethylcycloocta-1,4-diene (PubChem CID 156675048) has the molecular formula C₁₀H₁₆ and a molecular weight of 136.24 g/mol. Its IUPAC name is (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene.

Molecular Properties

• Compound Name: (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene
• PubChem CID: 156675048
• Molecular Formula: C₁₀H₁₆
• Molecular Weight: 136.24 g/mol
• Exact Mass: 136.13
• IUPAC Name: (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene
• SMILES: C/C1=C/C/C=C\C(C)CC1
• InChI: InChI=1S/C10H16/c1-9-5-3-4-6-10(2)8-7-9/h3,5-6,9H,4,7-8H2,1-2H3/b5-3-,10-6-
• InChIKey: QGMKZSWBKKQAIC-XYWNUQEVSA-N
• XLogP: 3.31
• TPSA: 0.00 Ų
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	136.24
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene?

The IUPAC name of (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene (CID 156675048) is (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene.

What is the SMILES notation for (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene?

The canonical SMILES for (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene is C/C1=C/C/C=C\C(C)CC1.

What is the InChIKey of (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene?

The InChIKey is QGMKZSWBKKQAIC-XYWNUQEVSA-N. The full InChI is InChI=1S/C10H16/c1-9-5-3-4-6-10(2)8-7-9/h3,5-6,9H,4,7-8H2,1-2H3/b5-3-,10-6-.

What are the key properties of (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene?

(1Z,4Z)-1,6-dimethylcycloocta-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,4Z)-1,6-dimethylcycloocta-1,4-diene is sourced from PubChem (CID 156675048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156675048 — identifiers, structure, computed properties (public domain)

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