ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate

C13H24O4Si — CID 12035785

IUPACethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate
SMILESC/C=C/CC(O[Si](C)(C)C)C(=O)CC(=O)OCC
InChIInChI=1S/C13H24O4Si/c1-6-8-9-12(17-18(3,4)5)11(14)10-13(15)16-7-2/h6,8,12H,7,9-10H2,1-5H3/b8-6+
InChIKeyQXQZBYDGGIQZSM-SOFGYWHQSA-N
MW272.42 g/mol
LogP2.69
Rot. Bonds8

About ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate

ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate (PubChem CID 12035785) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate.

Molecular Properties

Compound Nameethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate
PubChem CID12035785
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Nameethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate
SMILESC/C=C/CC(O[Si](C)(C)C)C(=O)CC(=O)OCC
InChIInChI=1S/C13H24O4Si/c1-6-8-9-12(17-18(3,4)5)11(14)10-13(15)16-7-2/h6,8,12H,7,9-10H2,1-5H3/b8-6+
InChIKeyQXQZBYDGGIQZSM-SOFGYWHQSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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)-3-oxo-4-trimethylsilyloxyoct-6-enoate?
The IUPAC name of ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate (CID 12035785) is ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate.
What is the SMILES notation for ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate?
The canonical SMILES for ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate is C/C=C/CC(O[Si](C)(C)C)C(=O)CC(=O)OCC.
What is the InChIKey of ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate?
The InChIKey is QXQZBYDGGIQZSM-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-6-8-9-12(17-18(3,4)5)11(14)10-13(15)16-7-2/h6,8,12H,7,9-10H2,1-5H3/b8-6+.
What are the key properties of ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate?
ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate has a molecular weight of 272.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-oxo-4-trimethylsilyloxyoct-6-enoate is sourced from PubChem (CID 12035785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).