1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane

C₁₅H₂₈O — CID 22095343

About 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane

1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane (PubChem CID 22095343) has the molecular formula C₁₅H₂₈O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

• Compound Name: 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane
• PubChem CID: 22095343
• Molecular Formula: C₁₅H₂₈O
• Molecular Weight: 224.39 g/mol
• Exact Mass: 224.21
• IUPAC Name: 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane
• SMILES: C/C=C/C1CCC(OCCCCCC)CC1
• InChI: InChI=1S/C15H28O/c1-3-5-6-7-13-16-15-11-9-14(8-4-2)10-12-15/h4,8,14-15H,3,5-7,9-13H2,1-2H3/b8-4+
• InChIKey: SSNJVSDQSKPOQQ-XBXARRHUSA-N
• XLogP: 4.72
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.39
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane?

The IUPAC name of 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane (CID 22095343) is 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane.

What is the SMILES notation for 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane?

The canonical SMILES for 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1CCC(OCCCCCC)CC1.

What is the InChIKey of 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane?

The InChIKey is SSNJVSDQSKPOQQ-XBXARRHUSA-N. The full InChI is InChI=1S/C15H28O/c1-3-5-6-7-13-16-15-11-9-14(8-4-2)10-12-15/h4,8,14-15H,3,5-7,9-13H2,1-2H3/b8-4+.

What are the key properties of 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane?

1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hexoxy-4-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 22095343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22095343 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.