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

C17H33FO3Si — CID 50907157

IUPACethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate
SMILESCCCCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C17H33FO3Si/c1-6-8-9-10-11-12-13-14-15(21-22(3,4)5)16(18)17(19)20-7-2/h6-14H2,1-5H3/b16-15+
InChIKeyAKAWAEJOYUZMAI-FOCLMDBBSA-N
MW332.53 g/mol
LogP5.72
Rot. Bonds12

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

ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate (PubChem CID 50907157) has the molecular formula C17H33FO3Si and a molecular weight of 332.53 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate
PubChem CID50907157
Molecular FormulaC17H33FO3Si
Molecular Weight332.53 g/mol
Exact Mass332.22
IUPAC Nameethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate
SMILESCCCCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C17H33FO3Si/c1-6-8-9-10-11-12-13-14-15(21-22(3,4)5)16(18)17(19)20-7-2/h6-14H2,1-5H3/b16-15+
InChIKeyAKAWAEJOYUZMAI-FOCLMDBBSA-N
XLogP5.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.72
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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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate (CID 50907157) is ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate is CCCCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate?
The InChIKey is AKAWAEJOYUZMAI-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H33FO3Si/c1-6-8-9-10-11-12-13-14-15(21-22(3,4)5)16(18)17(19)20-7-2/h6-14H2,1-5H3/b16-15+.
What are the key properties of ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate?
ethyl (E)-2-fluoro-3-trimethylsilyloxydodec-2-enoate has a molecular weight of 332.53 g/mol, XLogP of 5.72, 12 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-trimethylsilyloxydodec-2-enoate is sourced from PubChem (CID 50907157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).