(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate

C₁₆H₂₃FO₃Si — CID 154365117

About (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate

(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate (PubChem CID 154365117) has the molecular formula C₁₆H₂₃FO₃Si and a molecular weight of 310.44 g/mol. Its IUPAC name is (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate.

Molecular Properties

• Compound Name: (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate
• PubChem CID: 154365117
• Molecular Formula: C₁₆H₂₃FO₃Si
• Molecular Weight: 310.44 g/mol
• Exact Mass: 310.14
• IUPAC Name: (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate
• SMILES: C=C(F)C(=O)OCCC(CC)(CC)O[SiH2]c1ccccc1
• InChI: InChI=1S/C16H23FO3Si/c1-4-16(5-2,11-12-19-15(18)13(3)17)20-21-14-9-7-6-8-10-14/h6-10H,3-5,11-12,21H2,1-2H3
• InChIKey: GECSOXQNIYBNRW-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.44
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate?

The IUPAC name of (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate (CID 154365117) is (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate.

What is the SMILES notation for (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate?

The canonical SMILES for (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate is C=C(F)C(=O)OCCC(CC)(CC)O[SiH2]c1ccccc1.

What is the InChIKey of (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate?

The InChIKey is GECSOXQNIYBNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3Si/c1-4-16(5-2,11-12-19-15(18)13(3)17)20-21-14-9-7-6-8-10-14/h6-10H,3-5,11-12,21H2,1-2H3.

What are the key properties of (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate?

(3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate has a molecular weight of 310.44 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-ethyl-3-phenylsilyloxypentyl) 2-fluoroprop-2-enoate is sourced from PubChem (CID 154365117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154365117 — identifiers, structure, computed properties (public domain)

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