(2R)-2-oct-7-enyloxirane

C₁₀H₁₈O — CID 7018005

About (2R)-2-oct-7-enyloxirane

(2R)-2-oct-7-enyloxirane (PubChem CID 7018005) has the molecular formula C₁₀H₁₈O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R)-2-oct-7-enyloxirane.

Molecular Properties

• Compound Name: (2R)-2-oct-7-enyloxirane
• PubChem CID: 7018005
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25 g/mol
• Exact Mass: 154.14
• IUPAC Name: (2R)-2-oct-7-enyloxirane
• SMILES: C=CCCCCCC[C@@H]1CO1
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2/t10-/m1/s1
• InChIKey: FCZHJHKCOZGQJZ-SNVBAGLBSA-N
• XLogP: 2.91
• TPSA: 12.53 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.25
LogP ≤ 5	2.91
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-oct-7-enyloxirane?

The IUPAC name of (2R)-2-oct-7-enyloxirane (CID 7018005) is (2R)-2-oct-7-enyloxirane.

What is the SMILES notation for (2R)-2-oct-7-enyloxirane?

The canonical SMILES for (2R)-2-oct-7-enyloxirane is C=CCCCCCC[C@@H]1CO1.

What is the InChIKey of (2R)-2-oct-7-enyloxirane?

The InChIKey is FCZHJHKCOZGQJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-10-9-11-10/h2,10H,1,3-9H2/t10-/m1/s1.

What are the key properties of (2R)-2-oct-7-enyloxirane?

(2R)-2-oct-7-enyloxirane has a molecular weight of 154.25 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-oct-7-enyloxirane is sourced from PubChem (CID 7018005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7018005 — identifiers, structure, computed properties (public domain)

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