ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate

C11H15F3O2Si — CID 15311255

IUPACethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate
SMILESCCOC(=O)/C=C(\C#C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3O2Si/c1-5-16-10(15)8-9(11(12,13)14)6-7-17(2,3)4/h8H,5H2,1-4H3/b9-8+
InChIKeyCTXDGDMXOOEQHR-CMDGGOBGSA-N
MW264.32 g/mol
LogP2.92
Rot. Bonds2

About ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate

ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate (PubChem CID 15311255) has the molecular formula C11H15F3O2Si and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate.

Molecular Properties

Compound Nameethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate
PubChem CID15311255
Molecular FormulaC11H15F3O2Si
Molecular Weight264.32 g/mol
Exact Mass264.08
IUPAC Nameethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate
SMILESCCOC(=O)/C=C(\C#C[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3O2Si/c1-5-16-10(15)8-9(11(12,13)14)6-7-17(2,3)4/h8H,5H2,1-4H3/b9-8+
InChIKeyCTXDGDMXOOEQHR-CMDGGOBGSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate?
The IUPAC name of ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate (CID 15311255) is ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate.
What is the SMILES notation for ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate?
The canonical SMILES for ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate is CCOC(=O)/C=C(\C#C[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate?
The InChIKey is CTXDGDMXOOEQHR-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H15F3O2Si/c1-5-16-10(15)8-9(11(12,13)14)6-7-17(2,3)4/h8H,5H2,1-4H3/b9-8+.
What are the key properties of ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate?
ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate has a molecular weight of 264.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(trifluoromethyl)-5-trimethylsilylpent-2-en-4-ynoate is sourced from PubChem (CID 15311255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).