1-Ethenylcyclohexene;2-tetradecyloxirane

C₂₄H₄₄O — CID 158468491

About 1-Ethenylcyclohexene;2-tetradecyloxirane

1-Ethenylcyclohexene;2-tetradecyloxirane (PubChem CID 158468491) has the molecular formula C₂₄H₄₄O and a molecular weight of 348.62 g/mol. Its IUPAC name is 1-ethenylcyclohexene;2-tetradecyloxirane.

Molecular Properties

• Compound Name: 1-Ethenylcyclohexene;2-tetradecyloxirane
• PubChem CID: 158468491
• Molecular Formula: C₂₄H₄₄O
• Molecular Weight: 348.62 g/mol
• Exact Mass: 348.34
• IUPAC Name: 1-ethenylcyclohexene;2-tetradecyloxirane
• SMILES: C=CC1=CCCCC1.CCCCCCCCCCCCCCC1CO1
• InChI: InChI=1S/C16H32O.C8H12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16;1-2-8-6-4-3-5-7-8/h16H,2-15H2,1H3;2,6H,1,3-5,7H2
• InChIKey: HGBCTMRLUSTFJF-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 12.53 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.62
LogP ≤ 5	8.15
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-Ethenylcyclohexene;2-tetradecyloxirane?

The IUPAC name of 1-Ethenylcyclohexene;2-tetradecyloxirane (CID 158468491) is 1-ethenylcyclohexene;2-tetradecyloxirane.

What is the SMILES notation for 1-Ethenylcyclohexene;2-tetradecyloxirane?

The canonical SMILES for 1-Ethenylcyclohexene;2-tetradecyloxirane is C=CC1=CCCCC1.CCCCCCCCCCCCCCC1CO1.

What is the InChIKey of 1-Ethenylcyclohexene;2-tetradecyloxirane?

The InChIKey is HGBCTMRLUSTFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O.C8H12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16;1-2-8-6-4-3-5-7-8/h16H,2-15H2,1H3;2,6H,1,3-5,7H2.

What are the key properties of 1-Ethenylcyclohexene;2-tetradecyloxirane?

1-Ethenylcyclohexene;2-tetradecyloxirane has a molecular weight of 348.62 g/mol, XLogP of 8.15, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-Ethenylcyclohexene;2-tetradecyloxirane is sourced from PubChem (CID 158468491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158468491 — identifiers, structure, computed properties (public domain)

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