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

C19H37FO3Si — CID 50907158

IUPACethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate
SMILESCCCCCCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C19H37FO3Si/c1-6-8-9-10-11-12-13-14-15-16-17(23-24(3,4)5)18(20)19(21)22-7-2/h6-16H2,1-5H3/b18-17+
InChIKeyLDZDOKWEDMIALE-ISLYRVAYSA-N
MW360.59 g/mol
LogP6.50
Rot. Bonds14

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

ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate (PubChem CID 50907158) has the molecular formula C19H37FO3Si and a molecular weight of 360.59 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate
PubChem CID50907158
Molecular FormulaC19H37FO3Si
Molecular Weight360.59 g/mol
Exact Mass360.25
IUPAC Nameethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate
SMILESCCCCCCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC
InChIInChI=1S/C19H37FO3Si/c1-6-8-9-10-11-12-13-14-15-16-17(23-24(3,4)5)18(20)19(21)22-7-2/h6-16H2,1-5H3/b18-17+
InChIKeyLDZDOKWEDMIALE-ISLYRVAYSA-N
XLogP6.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 56.50
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-trimethylsilyloxytetradec-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate (CID 50907158) is ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate is CCCCCCCCCCC/C(O[Si](C)(C)C)=C(\F)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate?
The InChIKey is LDZDOKWEDMIALE-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H37FO3Si/c1-6-8-9-10-11-12-13-14-15-16-17(23-24(3,4)5)18(20)19(21)22-7-2/h6-16H2,1-5H3/b18-17+.
What are the key properties of ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate?
ethyl (E)-2-fluoro-3-trimethylsilyloxytetradec-2-enoate has a molecular weight of 360.59 g/mol, XLogP of 6.50, 14 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-trimethylsilyloxytetradec-2-enoate is sourced from PubChem (CID 50907158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).