2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate

C₁₆H₁₈O₄ — CID 139889525

About 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate

2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate (PubChem CID 139889525) has the molecular formula C₁₆H₁₈O₄ and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
• PubChem CID: 139889525
• Molecular Formula: C₁₆H₁₈O₄
• Molecular Weight: 274.32 g/mol
• Exact Mass: 274.12
• IUPAC Name: 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
• SMILES: C=Cc1ccccc1/C=C(\C)C(=O)OCCOC(C)=O
• InChI: InChI=1S/C16H18O4/c1-4-14-7-5-6-8-15(14)11-12(2)16(18)20-10-9-19-13(3)17/h4-8,11H,1,9-10H2,2-3H3/b12-11+
• InChIKey: FAGMXPYDRAZQPY-VAWYXSNFSA-N
• XLogP: 2.84
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.32
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?

The IUPAC name of 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate (CID 139889525) is 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate.

What is the SMILES notation for 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?

The canonical SMILES for 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate is C=Cc1ccccc1/C=C(\C)C(=O)OCCOC(C)=O.

What is the InChIKey of 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?

The InChIKey is FAGMXPYDRAZQPY-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H18O4/c1-4-14-7-5-6-8-15(14)11-12(2)16(18)20-10-9-19-13(3)17/h4-8,11H,1,9-10H2,2-3H3/b12-11+.

What are the key properties of 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate?

2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate is sourced from PubChem (CID 139889525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139889525 — identifiers, structure, computed properties (public domain)

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