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

C15H29FO3Si — CID 50906966

IUPACethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate
SMILESCCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C15H29FO3Si/c1-6-8-9-10-11-12-13(19-20(3,4)5)14(16)15(17)18-7-2/h6-12H2,1-5H3/b14-13+
InChIKeyWYKVLQCHSKXTCT-BUHFOSPRSA-N
MW304.48 g/mol
LogP4.94
Rot. Bonds10

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

ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate (PubChem CID 50906966) has the molecular formula C15H29FO3Si and a molecular weight of 304.48 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate
PubChem CID50906966
Molecular FormulaC15H29FO3Si
Molecular Weight304.48 g/mol
Exact Mass304.19
IUPAC Nameethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate
SMILESCCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C15H29FO3Si/c1-6-8-9-10-11-12-13(19-20(3,4)5)14(16)15(17)18-7-2/h6-12H2,1-5H3/b14-13+
InChIKeyWYKVLQCHSKXTCT-BUHFOSPRSA-N
XLogP4.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.94
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-trimethylsilyloxydec-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate (CID 50906966) is ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate is CCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate?
The InChIKey is WYKVLQCHSKXTCT-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H29FO3Si/c1-6-8-9-10-11-12-13(19-20(3,4)5)14(16)15(17)18-7-2/h6-12H2,1-5H3/b14-13+.
What are the key properties of ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate?
ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate has a molecular weight of 304.48 g/mol, XLogP of 4.94, 10 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-trimethylsilyloxydec-2-enoate is sourced from PubChem (CID 50906966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).