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

C10H19FO3Si — CID 50906962

IUPACethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate
SMILESCCOC(=O)/C(F)=C(/CC)O[Si](C)(C)C
InChIInChI=1S/C10H19FO3Si/c1-6-8(14-15(3,4)5)9(11)10(12)13-7-2/h6-7H2,1-5H3/b9-8+
InChIKeyQSBNCEHETLMURO-CMDGGOBGSA-N
MW234.34 g/mol
LogP2.99
Rot. Bonds5

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

ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate (PubChem CID 50906962) has the molecular formula C10H19FO3Si and a molecular weight of 234.34 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate
PubChem CID50906962
Molecular FormulaC10H19FO3Si
Molecular Weight234.34 g/mol
Exact Mass234.11
IUPAC Nameethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate
SMILESCCOC(=O)/C(F)=C(/CC)O[Si](C)(C)C
InChIInChI=1S/C10H19FO3Si/c1-6-8(14-15(3,4)5)9(11)10(12)13-7-2/h6-7H2,1-5H3/b9-8+
InChIKeyQSBNCEHETLMURO-CMDGGOBGSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate (CID 50906962) is ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate is CCOC(=O)/C(F)=C(/CC)O[Si](C)(C)C.
What is the InChIKey of ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate?
The InChIKey is QSBNCEHETLMURO-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H19FO3Si/c1-6-8(14-15(3,4)5)9(11)10(12)13-7-2/h6-7H2,1-5H3/b9-8+.
What are the key properties of ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate?
ethyl (E)-2-fluoro-3-trimethylsilyloxypent-2-enoate has a molecular weight of 234.34 g/mol, XLogP of 2.99, 5 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-trimethylsilyloxypent-2-enoate is sourced from PubChem (CID 50906962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).