4-ethoxy-4-trimethylsilyloxybut-3-en-2-one

C9H18O3Si — CID 71327852

IUPAC4-ethoxy-4-trimethylsilyloxybut-3-en-2-one
SMILESCCOC(=CC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6-11-9(7-8(2)10)12-13(3,4)5/h7H,6H2,1-5H3
InChIKeyJDWJSJIDOXULCE-UHFFFAOYSA-N
MW202.33 g/mol
LogP2.30
Rot. Bonds5

About 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one

4-ethoxy-4-trimethylsilyloxybut-3-en-2-one (PubChem CID 71327852) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one.

Molecular Properties

Compound Name4-ethoxy-4-trimethylsilyloxybut-3-en-2-one
PubChem CID71327852
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name4-ethoxy-4-trimethylsilyloxybut-3-en-2-one
SMILESCCOC(=CC(C)=O)O[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-6-11-9(7-8(2)10)12-13(3,4)5/h7H,6H2,1-5H3
InChIKeyJDWJSJIDOXULCE-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one?
The IUPAC name of 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one (CID 71327852) is 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one.
What is the SMILES notation for 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one?
The canonical SMILES for 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one is CCOC(=CC(C)=O)O[Si](C)(C)C.
What is the InChIKey of 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one?
The InChIKey is JDWJSJIDOXULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-6-11-9(7-8(2)10)12-13(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one?
4-ethoxy-4-trimethylsilyloxybut-3-en-2-one has a molecular weight of 202.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-trimethylsilyloxybut-3-en-2-one is sourced from PubChem (CID 71327852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).