2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane

C₁₀H₁₈O₂ — CID 151531127

About 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane

2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 151531127) has the molecular formula C₁₀H₁₈O₂ and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

• Compound Name: 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
• PubChem CID: 151531127
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25 g/mol
• Exact Mass: 170.13
• IUPAC Name: 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
• SMILES: CC(C)=COCCC1COC1C
• InChI: InChI=1S/C10H18O2/c1-8(2)6-11-5-4-10-7-12-9(10)3/h6,9-10H,4-5,7H2,1-3H3
• InChIKey: PWMKPYOWZIRAHF-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	170.25
LogP ≤ 5	2.35
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?

The IUPAC name of 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (CID 151531127) is 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

What is the SMILES notation for 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?

The canonical SMILES for 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is CC(C)=COCCC1COC1C.

What is the InChIKey of 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?

The InChIKey is PWMKPYOWZIRAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)6-11-5-4-10-7-12-9(10)3/h6,9-10H,4-5,7H2,1-3H3.

What are the key properties of 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?

2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 151531127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151531127 — identifiers, structure, computed properties (public domain)

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