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

C10H17FO2Si — CID 101017234

IUPACethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate
SMILESCCOC(=O)/C=C(F)/C=C/[Si](C)(C)C
InChIInChI=1S/C10H17FO2Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h6-8H,5H2,1-4H3/b7-6+,9-8-
InChIKeyPRDBYZGOILVSPM-MUIOLIGRSA-N
MW216.33 g/mol
LogP2.84
Rot. Bonds4

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

ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate (PubChem CID 101017234) has the molecular formula C10H17FO2Si and a molecular weight of 216.33 g/mol. Its IUPAC name is ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate
PubChem CID101017234
Molecular FormulaC10H17FO2Si
Molecular Weight216.33 g/mol
Exact Mass216.10
IUPAC Nameethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate
SMILESCCOC(=O)/C=C(F)/C=C/[Si](C)(C)C
InChIInChI=1S/C10H17FO2Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h6-8H,5H2,1-4H3/b7-6+,9-8-
InChIKeyPRDBYZGOILVSPM-MUIOLIGRSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.84
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 (2Z,4E)-3-fluoro-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

2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523
ethyl (2E,4E)-3-(trifluoromethyl)-5-trimethylsilylpenta-2,4-dienoate
CID 11043708
ethyl (2Z,4E)-2-fluorohexa-2,4-dienoate
CID 11789473
ethyl (2E,4E,6E)-3-(trifluoromethyl)-7-trimethylsilylhepta-2,4,6-trienoate
CID 21599857
ethyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate
CID 23394328
4-O-(2,2,2-trifluoroethyl) 1-O-(3-trimethylsilylpropyl) but-2-enedioate
CID 53684421
ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluorobut-2-enoate
CID 60008705

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate?
The IUPAC name of ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate (CID 101017234) is ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate.
What is the SMILES notation for ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate?
The canonical SMILES for ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate is CCOC(=O)/C=C(F)/C=C/[Si](C)(C)C.
What is the InChIKey of ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate?
The InChIKey is PRDBYZGOILVSPM-MUIOLIGRSA-N. The full InChI is InChI=1S/C10H17FO2Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h6-8H,5H2,1-4H3/b7-6+,9-8-.
What are the key properties of ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate?
ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate has a molecular weight of 216.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z,4E)-3-fluoro-5-trimethylsilylpenta-2,4-dienoate is sourced from PubChem (CID 101017234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).