4-[(E)-2-cyclohexylethenyl]oxane

C₁₃H₂₂O — CID 169432357

About 4-[(E)-2-cyclohexylethenyl]oxane

4-[(E)-2-cyclohexylethenyl]oxane (PubChem CID 169432357) has the molecular formula C₁₃H₂₂O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-[(E)-2-cyclohexylethenyl]oxane.

Molecular Properties

• Compound Name: 4-[(E)-2-cyclohexylethenyl]oxane
• PubChem CID: 169432357
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.32 g/mol
• Exact Mass: 194.17
• IUPAC Name: 4-[(E)-2-cyclohexylethenyl]oxane
• SMILES: C(=C/C1CCOCC1)\C1CCCCC1
• InChI: InChI=1S/C13H22O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h6-7,12-13H,1-5,8-11H2/b7-6+
• InChIKey: AYDGEYUGSGNLNP-VOTSOKGWSA-N
• XLogP: 3.55
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.32
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-cyclohexylethenyl]oxane?

The IUPAC name of 4-[(E)-2-cyclohexylethenyl]oxane (CID 169432357) is 4-[(E)-2-cyclohexylethenyl]oxane.

What is the SMILES notation for 4-[(E)-2-cyclohexylethenyl]oxane?

The canonical SMILES for 4-[(E)-2-cyclohexylethenyl]oxane is C(=C/C1CCOCC1)\C1CCCCC1.

What is the InChIKey of 4-[(E)-2-cyclohexylethenyl]oxane?

The InChIKey is AYDGEYUGSGNLNP-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H22O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h6-7,12-13H,1-5,8-11H2/b7-6+.

What are the key properties of 4-[(E)-2-cyclohexylethenyl]oxane?

4-[(E)-2-cyclohexylethenyl]oxane has a molecular weight of 194.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-cyclohexylethenyl]oxane is sourced from PubChem (CID 169432357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169432357 — identifiers, structure, computed properties (public domain)

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