(4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate

C₁₁H₁₄O₄ — CID 164986824

About (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate

(4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate (PubChem CID 164986824) has the molecular formula C₁₁H₁₄O₄ and a molecular weight of 210.23 g/mol. Its IUPAC name is (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate
• PubChem CID: 164986824
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23 g/mol
• Exact Mass: 210.09
• IUPAC Name: (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate
• SMILES: C=CC1(OC(=O)C(=C)C)CCOC(=O)C1
• InChI: InChI=1S/C11H14O4/c1-4-11(15-10(13)8(2)3)5-6-14-9(12)7-11/h4H,1-2,5-7H2,3H3
• InChIKey: TWBZNGWBLRRJNP-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.23
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate?

The IUPAC name of (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate (CID 164986824) is (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate.

What is the SMILES notation for (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate?

The canonical SMILES for (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate is C=CC1(OC(=O)C(=C)C)CCOC(=O)C1.

What is the InChIKey of (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate?

The InChIKey is TWBZNGWBLRRJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-11(15-10(13)8(2)3)5-6-14-9(12)7-11/h4H,1-2,5-7H2,3H3.

What are the key properties of (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate?

(4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate has a molecular weight of 210.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 164986824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164986824 — identifiers, structure, computed properties (public domain)

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