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

C12H23FO3Si — CID 50906963

IUPACethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate
SMILESCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C12H23FO3Si/c1-6-8-9-10(16-17(3,4)5)11(13)12(14)15-7-2/h6-9H2,1-5H3/b11-10+
InChIKeyFMOKCIDZHLEECW-ZHACJKMWSA-N
MW262.40 g/mol
LogP3.77
Rot. Bonds7

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

ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate (PubChem CID 50906963) has the molecular formula C12H23FO3Si and a molecular weight of 262.40 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate
PubChem CID50906963
Molecular FormulaC12H23FO3Si
Molecular Weight262.40 g/mol
Exact Mass262.14
IUPAC Nameethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate
SMILESCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C12H23FO3Si/c1-6-8-9-10(16-17(3,4)5)11(13)12(14)15-7-2/h6-9H2,1-5H3/b11-10+
InChIKeyFMOKCIDZHLEECW-ZHACJKMWSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-trimethylsilyloxyhept-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate (CID 50906963) is ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate is CCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate?
The InChIKey is FMOKCIDZHLEECW-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H23FO3Si/c1-6-8-9-10(16-17(3,4)5)11(13)12(14)15-7-2/h6-9H2,1-5H3/b11-10+.
What are the key properties of ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate?
ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate has a molecular weight of 262.40 g/mol, XLogP of 3.77, 7 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-trimethylsilyloxyhept-2-enoate is sourced from PubChem (CID 50906963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).