(ethyl-methyl-phenylsilyl)methyl prop-2-enoate

C₁₃H₁₈O₂Si — CID 141219391

About (ethyl-methyl-phenylsilyl)methyl prop-2-enoate

(ethyl-methyl-phenylsilyl)methyl prop-2-enoate (PubChem CID 141219391) has the molecular formula C₁₃H₁₈O₂Si and a molecular weight of 234.37 g/mol. Its IUPAC name is (ethyl-methyl-phenylsilyl)methyl prop-2-enoate.

Molecular Properties

• Compound Name: (ethyl-methyl-phenylsilyl)methyl prop-2-enoate
• PubChem CID: 141219391
• Molecular Formula: C₁₃H₁₈O₂Si
• Molecular Weight: 234.37 g/mol
• Exact Mass: 234.11
• IUPAC Name: (ethyl-methyl-phenylsilyl)methyl prop-2-enoate
• SMILES: C=CC(=O)OC[Si](C)(CC)c1ccccc1
• InChI: InChI=1S/C13H18O2Si/c1-4-13(14)15-11-16(3,5-2)12-9-7-6-8-10-12/h4,6-10H,1,5,11H2,2-3H3
• InChIKey: GKCOFWJNYQPSOW-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.37
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (ethyl-methyl-phenylsilyl)methyl prop-2-enoate?

The IUPAC name of (ethyl-methyl-phenylsilyl)methyl prop-2-enoate (CID 141219391) is (ethyl-methyl-phenylsilyl)methyl prop-2-enoate.

What is the SMILES notation for (ethyl-methyl-phenylsilyl)methyl prop-2-enoate?

The canonical SMILES for (ethyl-methyl-phenylsilyl)methyl prop-2-enoate is C=CC(=O)OC[Si](C)(CC)c1ccccc1.

What is the InChIKey of (ethyl-methyl-phenylsilyl)methyl prop-2-enoate?

The InChIKey is GKCOFWJNYQPSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-4-13(14)15-11-16(3,5-2)12-9-7-6-8-10-12/h4,6-10H,1,5,11H2,2-3H3.

What are the key properties of (ethyl-methyl-phenylsilyl)methyl prop-2-enoate?

(ethyl-methyl-phenylsilyl)methyl prop-2-enoate has a molecular weight of 234.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (ethyl-methyl-phenylsilyl)methyl prop-2-enoate is sourced from PubChem (CID 141219391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141219391 — identifiers, structure, computed properties (public domain)

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