ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate

C13H24F2O2Si — CID 10588685

IUPACethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(\C(F)(F)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C13H24F2O2Si/c1-6-8-9-10-11(18(3,4)5)13(14,15)12(16)17-7-2/h10H,6-9H2,1-5H3/b11-10+
InChIKeyUGTUPHOOHHPUQA-ZHACJKMWSA-N
MW278.42 g/mol
LogP4.18
Rot. Bonds7

About ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate

ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate (PubChem CID 10588685) has the molecular formula C13H24F2O2Si and a molecular weight of 278.42 g/mol. Its IUPAC name is ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate.

Molecular Properties

Compound Nameethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate
PubChem CID10588685
Molecular FormulaC13H24F2O2Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nameethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate
SMILESCCCC/C=C(\C(F)(F)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C13H24F2O2Si/c1-6-8-9-10-11(18(3,4)5)13(14,15)12(16)17-7-2/h10H,6-9H2,1-5H3/b11-10+
InChIKeyUGTUPHOOHHPUQA-ZHACJKMWSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate?
The IUPAC name of ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate (CID 10588685) is ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate.
What is the SMILES notation for ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate?
The canonical SMILES for ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate is CCCC/C=C(\C(F)(F)C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate?
The InChIKey is UGTUPHOOHHPUQA-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H24F2O2Si/c1-6-8-9-10-11(18(3,4)5)13(14,15)12(16)17-7-2/h10H,6-9H2,1-5H3/b11-10+.
What are the key properties of ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate?
ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate has a molecular weight of 278.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2,2-difluoro-3-trimethylsilyloct-3-enoate is sourced from PubChem (CID 10588685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).