2-(ethenoxymethyl)-2-ethyloxirane

C₇H₁₂O₂ — CID 152715557

About 2-(ethenoxymethyl)-2-ethyloxirane

2-(ethenoxymethyl)-2-ethyloxirane (PubChem CID 152715557) has the molecular formula C₇H₁₂O₂ and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethyloxirane.

Molecular Properties

• Compound Name: 2-(ethenoxymethyl)-2-ethyloxirane
• PubChem CID: 152715557
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.17 g/mol
• Exact Mass: 128.08
• IUPAC Name: 2-(ethenoxymethyl)-2-ethyloxirane
• SMILES: C=COCC1(CC)CO1
• InChI: InChI=1S/C7H12O2/c1-3-7(6-9-7)5-8-4-2/h4H,2-3,5-6H2,1H3
• InChIKey: ZUNHMRYVHGLINB-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	128.17
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethyloxirane?

The IUPAC name of 2-(ethenoxymethyl)-2-ethyloxirane (CID 152715557) is 2-(ethenoxymethyl)-2-ethyloxirane.

What is the SMILES notation for 2-(ethenoxymethyl)-2-ethyloxirane?

The canonical SMILES for 2-(ethenoxymethyl)-2-ethyloxirane is C=COCC1(CC)CO1.

What is the InChIKey of 2-(ethenoxymethyl)-2-ethyloxirane?

The InChIKey is ZUNHMRYVHGLINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7(6-9-7)5-8-4-2/h4H,2-3,5-6H2,1H3.

What are the key properties of 2-(ethenoxymethyl)-2-ethyloxirane?

2-(ethenoxymethyl)-2-ethyloxirane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(ethenoxymethyl)-2-ethyloxirane is sourced from PubChem (CID 152715557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152715557 — identifiers, structure, computed properties (public domain)

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