ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate

C14H27FO3Si — CID 50906965

IUPACethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate
SMILESCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C14H27FO3Si/c1-6-8-9-10-11-12(18-19(3,4)5)13(15)14(16)17-7-2/h6-11H2,1-5H3/b13-12+
InChIKeyJFELSWQTWZUYES-OUKQBFOZSA-N
MW290.45 g/mol
LogP4.55
Rot. Bonds9

About ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate

ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate (PubChem CID 50906965) has the molecular formula C14H27FO3Si and a molecular weight of 290.45 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate
PubChem CID50906965
Molecular FormulaC14H27FO3Si
Molecular Weight290.45 g/mol
Exact Mass290.17
IUPAC Nameethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate
SMILESCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C14H27FO3Si/c1-6-8-9-10-11-12(18-19(3,4)5)13(15)14(16)17-7-2/h6-11H2,1-5H3/b13-12+
InChIKeyJFELSWQTWZUYES-OUKQBFOZSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate (CID 50906965) is ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate is CCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate?
The InChIKey is JFELSWQTWZUYES-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H27FO3Si/c1-6-8-9-10-11-12(18-19(3,4)5)13(15)14(16)17-7-2/h6-11H2,1-5H3/b13-12+.
What are the key properties of ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate?
ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate has a molecular weight of 290.45 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate is sourced from PubChem (CID 50906965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).