[ethyl(dimethyl)silyl]methyl 3-oxobutanoate

C9H18O3Si — CID 54225006

IUPAC[ethyl(dimethyl)silyl]methyl 3-oxobutanoate
SMILESCC[Si](C)(C)COC(=O)CC(C)=O
InChIInChI=1S/C9H18O3Si/c1-5-13(3,4)7-12-9(11)6-8(2)10/h5-7H2,1-4H3
InChIKeyQFFTYNBJWUZVDJ-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.78
Rot. Bonds5

About [ethyl(dimethyl)silyl]methyl 3-oxobutanoate

[ethyl(dimethyl)silyl]methyl 3-oxobutanoate (PubChem CID 54225006) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is [ethyl(dimethyl)silyl]methyl 3-oxobutanoate.

Molecular Properties

Compound Name[ethyl(dimethyl)silyl]methyl 3-oxobutanoate
PubChem CID54225006
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name[ethyl(dimethyl)silyl]methyl 3-oxobutanoate
SMILESCC[Si](C)(C)COC(=O)CC(C)=O
InChIInChI=1S/C9H18O3Si/c1-5-13(3,4)7-12-9(11)6-8(2)10/h5-7H2,1-4H3
InChIKeyQFFTYNBJWUZVDJ-UHFFFAOYSA-N
XLogP1.78
TPSA43.37 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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [ethyl(dimethyl)silyl]methyl 3-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [ethyl(dimethyl)silyl]methyl 3-oxobutanoate?
The IUPAC name of [ethyl(dimethyl)silyl]methyl 3-oxobutanoate (CID 54225006) is [ethyl(dimethyl)silyl]methyl 3-oxobutanoate.
What is the SMILES notation for [ethyl(dimethyl)silyl]methyl 3-oxobutanoate?
The canonical SMILES for [ethyl(dimethyl)silyl]methyl 3-oxobutanoate is CC[Si](C)(C)COC(=O)CC(C)=O.
What is the InChIKey of [ethyl(dimethyl)silyl]methyl 3-oxobutanoate?
The InChIKey is QFFTYNBJWUZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-5-13(3,4)7-12-9(11)6-8(2)10/h5-7H2,1-4H3.
What are the key properties of [ethyl(dimethyl)silyl]methyl 3-oxobutanoate?
[ethyl(dimethyl)silyl]methyl 3-oxobutanoate has a molecular weight of 202.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(dimethyl)silyl]methyl 3-oxobutanoate is sourced from PubChem (CID 54225006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).