4-ethenoxytricyclo[5.2.1.02,6]decane

C₁₂H₁₈O — CID 58122806

About 4-ethenoxytricyclo[5.2.1.02,6]decane

4-ethenoxytricyclo[5.2.1.02,6]decane (PubChem CID 58122806) has the molecular formula C₁₂H₁₈O and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-ethenoxytricyclo[5.2.1.02,6]decane.

Molecular Properties

• Compound Name: 4-ethenoxytricyclo[5.2.1.02,6]decane
• PubChem CID: 58122806
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.28 g/mol
• Exact Mass: 178.14
• IUPAC Name: 4-ethenoxytricyclo[5.2.1.02,6]decane
• SMILES: C=COC1CC2C3CCC(C3)C2C1
• InChI: InChI=1S/C12H18O/c1-2-13-10-6-11-8-3-4-9(5-8)12(11)7-10/h2,8-12H,1,3-7H2
• InChIKey: IKRLUOBOIYRHOP-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	178.28
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxytricyclo[5.2.1.02,6]decane?

The IUPAC name of 4-ethenoxytricyclo[5.2.1.02,6]decane (CID 58122806) is 4-ethenoxytricyclo[5.2.1.02,6]decane.

What is the SMILES notation for 4-ethenoxytricyclo[5.2.1.02,6]decane?

The canonical SMILES for 4-ethenoxytricyclo[5.2.1.02,6]decane is C=COC1CC2C3CCC(C3)C2C1.

What is the InChIKey of 4-ethenoxytricyclo[5.2.1.02,6]decane?

The InChIKey is IKRLUOBOIYRHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-13-10-6-11-8-3-4-9(5-8)12(11)7-10/h2,8-12H,1,3-7H2.

What are the key properties of 4-ethenoxytricyclo[5.2.1.02,6]decane?

4-ethenoxytricyclo[5.2.1.02,6]decane has a molecular weight of 178.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethenoxytricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 58122806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58122806 — identifiers, structure, computed properties (public domain)

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