ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate

C11H17F3O2Si — CID 11043708

IUPACethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate
SMILESCCOC(=O)/C=C(\C=C\[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H17F3O2Si/c1-5-16-10(15)8-9(11(12,13)14)6-7-17(2,3)4/h6-8H,5H2,1-4H3/b7-6+,9-8+
InChIKeyFZZQJCKSDFCANM-BLHCBFLLSA-N
MW266.33 g/mol
LogP3.47
Rot. Bonds4

About ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate

ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate (PubChem CID 11043708) has the molecular formula C11H17F3O2Si and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate
PubChem CID11043708
Molecular FormulaC11H17F3O2Si
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Nameethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate
SMILESCCOC(=O)/C=C(\C=C\[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C11H17F3O2Si/c1-5-16-10(15)8-9(11(12,13)14)6-7-17(2,3)4/h6-8H,5H2,1-4H3/b7-6+,9-8+
InChIKeyFZZQJCKSDFCANM-BLHCBFLLSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.47
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': 'polyene', 'substructure': 'N/A'}

Analyze ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-(trifluoromethyl)-6-trimethylsilylhex-2-en-5-ynoate
CID 46854526
3-[(E)-2-trimethylsilylethenyl]-2H-furan-5-one
CID 15261962
(2E)-3-(Trifluoromethyl)-2,4-pentadienoic acid ethyl ester
CID 15864509
ethyl (2E,4E,6E)-3-(trifluoromethyl)-7-trimethylsilylhepta-2,4,6-trienoate
CID 21599857
ethyl (2E,4E)-6-methyl-3-(trifluoromethyl)hepta-2,4,6-trienoate
CID 21599858
ethyl (2E,4E)-3-(trifluoromethyl)hepta-2,4,6-trienoate
CID 21599859
ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate
CID 101017234
Ethyl 2-[4-triethylsilyloxy-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]propanoate
CID 15062350
ethyl (2Z,4E)-5-ethoxy-3-(trifluoromethyl)penta-2,4-dienoate
CID 126703532
ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate
CID 171836003
3-(Difluoromethylsilyl)propyl 2-methylbut-2-enoate
CID 174106031
2-trimethylsilylethyl (2E,4E)-5-iodo-3-methylpenta-2,4-dienoate
CID 11056864

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate (CID 11043708) is ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate is CCOC(=O)/C=C(\C=C\[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate?
The InChIKey is FZZQJCKSDFCANM-BLHCBFLLSA-N. The full InChI is InChI=1S/C11H17F3O2Si/c1-5-16-10(15)8-9(11(12,13)14)6-7-17(2,3)4/h6-8H,5H2,1-4H3/b7-6+,9-8+.
What are the key properties of ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate?
ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate has a molecular weight of 266.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate is sourced from PubChem (CID 11043708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).