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

C13H25FO3Si — CID 50906964

IUPACethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate
SMILESCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C13H25FO3Si/c1-6-8-9-10-11(17-18(3,4)5)12(14)13(15)16-7-2/h6-10H2,1-5H3/b12-11+
InChIKeyUKIFSTGGYDYEJA-VAWYXSNFSA-N
MW276.42 g/mol
LogP4.16
Rot. Bonds8

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

ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate (PubChem CID 50906964) has the molecular formula C13H25FO3Si and a molecular weight of 276.42 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate
PubChem CID50906964
Molecular FormulaC13H25FO3Si
Molecular Weight276.42 g/mol
Exact Mass276.16
IUPAC Nameethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate
SMILESCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C13H25FO3Si/c1-6-8-9-10-11(17-18(3,4)5)12(14)13(15)16-7-2/h6-10H2,1-5H3/b12-11+
InChIKeyUKIFSTGGYDYEJA-VAWYXSNFSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.16
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

(7Z)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
CID 14737057
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enoate
CID 139673733
(7E)-8-fluoro-7-trimethylsilyl-3,4,5,6-tetrahydro-2H-oxonin-9-one
CID 14737058
ethyl (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]-2-fluoroacetate
CID 24756420
ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate
CID 50906962
ethyl (E)-2-fluoro-3-trimethylsilyloxyhept-2-enoate
CID 50906963
ethyl (E)-2-fluoro-3-trimethylsilyloxynon-2-enoate
CID 50906965
ethyl (E)-2-fluoro-3-trimethylsilyloxydec-2-enoate
CID 50906966
ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate
CID 50907157
ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate
CID 50907158
Ethyl 3-trimethylsilyloxyocta-2,7-dienoate
CID 23244865
ethyl (2E)-3-trimethylsilyloxyocta-2,7-dienoate
CID 177462627

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate (CID 50906964) is ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate is CCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate?
The InChIKey is UKIFSTGGYDYEJA-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H25FO3Si/c1-6-8-9-10-11(17-18(3,4)5)12(14)13(15)16-7-2/h6-10H2,1-5H3/b12-11+.
What are the key properties of ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate?
ethyl (E)-2-fluoro-3-trimethylsilyloxyoct-2-enoate has a molecular weight of 276.42 g/mol, XLogP of 4.16, 8 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-trimethylsilyloxyoct-2-enoate is sourced from PubChem (CID 50906964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).