2-ethyl-2-(prop-2-enoxymethyl)oxirane

C₈H₁₄O₂ — CID 141221836

About 2-ethyl-2-(prop-2-enoxymethyl)oxirane

2-ethyl-2-(prop-2-enoxymethyl)oxirane (PubChem CID 141221836) has the molecular formula C₈H₁₄O₂ and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-ethyl-2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

• Compound Name: 2-ethyl-2-(prop-2-enoxymethyl)oxirane
• PubChem CID: 141221836
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.20 g/mol
• Exact Mass: 142.10
• IUPAC Name: 2-ethyl-2-(prop-2-enoxymethyl)oxirane
• SMILES: C=CCOCC1(CC)CO1
• InChI: InChI=1S/C8H14O2/c1-3-5-9-6-8(4-2)7-10-8/h3H,1,4-7H2,2H3
• InChIKey: FYCLQIITZZBECP-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	142.20
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 2-ethyl-2-(prop-2-enoxymethyl)oxirane?

The IUPAC name of 2-ethyl-2-(prop-2-enoxymethyl)oxirane (CID 141221836) is 2-ethyl-2-(prop-2-enoxymethyl)oxirane.

What is the SMILES notation for 2-ethyl-2-(prop-2-enoxymethyl)oxirane?

The canonical SMILES for 2-ethyl-2-(prop-2-enoxymethyl)oxirane is C=CCOCC1(CC)CO1.

What is the InChIKey of 2-ethyl-2-(prop-2-enoxymethyl)oxirane?

The InChIKey is FYCLQIITZZBECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-9-6-8(4-2)7-10-8/h3H,1,4-7H2,2H3.

What are the key properties of 2-ethyl-2-(prop-2-enoxymethyl)oxirane?

2-ethyl-2-(prop-2-enoxymethyl)oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 141221836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141221836 — identifiers, structure, computed properties (public domain)

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