2-(2-methylprop-2-enyl)oxolane

C₈H₁₄O — CID 102285856

About 2-(2-methylprop-2-enyl)oxolane

2-(2-methylprop-2-enyl)oxolane (PubChem CID 102285856) has the molecular formula C₈H₁₄O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)oxolane.

Molecular Properties

• Compound Name: 2-(2-methylprop-2-enyl)oxolane
• PubChem CID: 102285856
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.20 g/mol
• Exact Mass: 126.10
• IUPAC Name: 2-(2-methylprop-2-enyl)oxolane
• SMILES: C=C(C)CC1CCCO1
• InChI: InChI=1S/C8H14O/c1-7(2)6-8-4-3-5-9-8/h8H,1,3-6H2,2H3
• InChIKey: MGVKGZOIVOHCBX-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	126.20
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)oxolane?

The IUPAC name of 2-(2-methylprop-2-enyl)oxolane (CID 102285856) is 2-(2-methylprop-2-enyl)oxolane.

What is the SMILES notation for 2-(2-methylprop-2-enyl)oxolane?

The canonical SMILES for 2-(2-methylprop-2-enyl)oxolane is C=C(C)CC1CCCO1.

What is the InChIKey of 2-(2-methylprop-2-enyl)oxolane?

The InChIKey is MGVKGZOIVOHCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(2)6-8-4-3-5-9-8/h8H,1,3-6H2,2H3.

What are the key properties of 2-(2-methylprop-2-enyl)oxolane?

2-(2-methylprop-2-enyl)oxolane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylprop-2-enyl)oxolane is sourced from PubChem (CID 102285856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102285856 — identifiers, structure, computed properties (public domain)

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