ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate

C13H23FO3Si — CID 23394360

IUPACethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
SMILESC=COC(=O)/C(F)=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23FO3Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h7,9H,1,8,10H2,2-6H3/b11-9-
InChIKeyOERIWTATXIKMFE-LUAWRHEFSA-N
MW274.41 g/mol
LogP3.94
Rot. Bonds6

About ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate

ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate (PubChem CID 23394360) has the molecular formula C13H23FO3Si and a molecular weight of 274.41 g/mol. Its IUPAC name is ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate.

Molecular Properties

Compound Nameethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
PubChem CID23394360
Molecular FormulaC13H23FO3Si
Molecular Weight274.41 g/mol
Exact Mass274.14
IUPAC Nameethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
SMILESC=COC(=O)/C(F)=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H23FO3Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h7,9H,1,8,10H2,2-6H3/b11-9-
InChIKeyOERIWTATXIKMFE-LUAWRHEFSA-N
XLogP3.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.94
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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Related Compounds

ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E)-2-fluoro-5-(tertbutyldimethylsilyloxy)-2-pentenoate
CID 59912784
Fur020
CID 9992141
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(E)-5-(tert-butyl-dimethyl-silanyloxy)-pent-2-enoic acid methyl ester
CID 11630130
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
CID 10587587
methyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluorohex-2-enoate
CID 10683898

Frequently Asked Questions

What is the IUPAC name of ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The IUPAC name of ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate (CID 23394360) is ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate.
What is the SMILES notation for ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The canonical SMILES for ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate is C=COC(=O)/C(F)=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
The InChIKey is OERIWTATXIKMFE-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H23FO3Si/c1-7-16-12(15)11(14)9-8-10-17-18(5,6)13(2,3)4/h7,9H,1,8,10H2,2-6H3/b11-9-.
What are the key properties of ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate?
ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate has a molecular weight of 274.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (Z)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate is sourced from PubChem (CID 23394360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).