3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene

C₁₀H₂₀O₂ — CID 162262565

About 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene

3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene (PubChem CID 162262565) has the molecular formula C₁₀H₂₀O₂ and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene.

Molecular Properties

• Compound Name: 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene
• PubChem CID: 162262565
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.27 g/mol
• Exact Mass: 172.15
• IUPAC Name: 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene
• SMILES: C=CC.CCC1COC1COC
• InChI: InChI=1S/C7H14O2.C3H6/c1-3-6-4-9-7(6)5-8-2;1-3-2/h6-7H,3-5H2,1-2H3;3H,1H2,2H3
• InChIKey: ZZLJJJBWMYVYLT-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	172.27
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene?

The IUPAC name of 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene (CID 162262565) is 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene.

What is the SMILES notation for 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene?

The canonical SMILES for 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene is C=CC.CCC1COC1COC.

What is the InChIKey of 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene?

The InChIKey is ZZLJJJBWMYVYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C3H6/c1-3-6-4-9-7(6)5-8-2;1-3-2/h6-7H,3-5H2,1-2H3;3H,1H2,2H3.

What are the key properties of 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene?

3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene is sourced from PubChem (CID 162262565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162262565 — identifiers, structure, computed properties (public domain)

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