ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate

C13H24O3Si — CID 102360603

IUPACethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate
SMILESCCOC(=O)C(=O)CCC/C=C/C[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-5-16-13(15)12(14)10-8-6-7-9-11-17(2,3)4/h7,9H,5-6,8,10-11H2,1-4H3/b9-7+
InChIKeyNRESZCYYCHIYPP-VQHVLOKHSA-N
MW256.42 g/mol
LogP3.18
Rot. Bonds8

About ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate

ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate (PubChem CID 102360603) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate.

Molecular Properties

Compound Nameethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate
PubChem CID102360603
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Nameethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate
SMILESCCOC(=O)C(=O)CCC/C=C/C[Si](C)(C)C
InChIInChI=1S/C13H24O3Si/c1-5-16-13(15)12(14)10-8-6-7-9-11-17(2,3)4/h7,9H,5-6,8,10-11H2,1-4H3/b9-7+
InChIKeyNRESZCYYCHIYPP-VQHVLOKHSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate?
The IUPAC name of ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate (CID 102360603) is ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate.
What is the SMILES notation for ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate?
The canonical SMILES for ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate is CCOC(=O)C(=O)CCC/C=C/C[Si](C)(C)C.
What is the InChIKey of ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate?
The InChIKey is NRESZCYYCHIYPP-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-5-16-13(15)12(14)10-8-6-7-9-11-17(2,3)4/h7,9H,5-6,8,10-11H2,1-4H3/b9-7+.
What are the key properties of ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate?
ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate has a molecular weight of 256.42 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-oxo-8-trimethylsilyloct-6-enoate is sourced from PubChem (CID 102360603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).