3-Ethyl-3-vinyloxymethyloxetane

C₈H₁₄O₂ — CID 66666479

About 3-Ethyl-3-vinyloxymethyloxetane

3-Ethyl-3-vinyloxymethyloxetane (PubChem CID 66666479) has the molecular formula C₈H₁₄O₂ and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(ethenoxymethyl)-3-ethyloxetane.

Molecular Properties

• Compound Name: 3-Ethyl-3-vinyloxymethyloxetane
• PubChem CID: 66666479
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.20 g/mol
• Exact Mass: 142.10
• IUPAC Name: 3-(ethenoxymethyl)-3-ethyloxetane
• SMILES: C=COCC1(CC)COC1
• InChI: InChI=1S/C8H14O2/c1-3-8(5-9-4-2)6-10-7-8/h4H,2-3,5-7H2,1H3
• InChIKey: LDBOYMRNYCBDQK-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	142.20
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-Ethyl-3-vinyloxymethyloxetane?

The IUPAC name of 3-Ethyl-3-vinyloxymethyloxetane (CID 66666479) is 3-(ethenoxymethyl)-3-ethyloxetane.

What is the SMILES notation for 3-Ethyl-3-vinyloxymethyloxetane?

The canonical SMILES for 3-Ethyl-3-vinyloxymethyloxetane is C=COCC1(CC)COC1.

What is the InChIKey of 3-Ethyl-3-vinyloxymethyloxetane?

The InChIKey is LDBOYMRNYCBDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-8(5-9-4-2)6-10-7-8/h4H,2-3,5-7H2,1H3.

What are the key properties of 3-Ethyl-3-vinyloxymethyloxetane?

3-Ethyl-3-vinyloxymethyloxetane has a molecular weight of 142.20 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Ethyl-3-vinyloxymethyloxetane is sourced from PubChem (CID 66666479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66666479 — identifiers, structure, computed properties (public domain)

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