ethyl 4-trimethylsilylbutanoate

C9H20O2Si — CID 86594849

IUPACethyl 4-trimethylsilylbutanoate
SMILESCCOC(=O)CCC[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-11-9(10)7-6-8-12(2,3)4/h5-8H2,1-4H3
InChIKeyZTVKGEALJSBLKX-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.67
Rot. Bonds5

About ethyl 4-trimethylsilylbutanoate

ethyl 4-trimethylsilylbutanoate (PubChem CID 86594849) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is ethyl 4-trimethylsilylbutanoate.

Molecular Properties

Compound Nameethyl 4-trimethylsilylbutanoate
PubChem CID86594849
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nameethyl 4-trimethylsilylbutanoate
SMILESCCOC(=O)CCC[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-11-9(10)7-6-8-12(2,3)4/h5-8H2,1-4H3
InChIKeyZTVKGEALJSBLKX-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 4-trimethylsilylbutanoate 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 4-trimethylsilylbutanoate?
The IUPAC name of ethyl 4-trimethylsilylbutanoate (CID 86594849) is ethyl 4-trimethylsilylbutanoate.
What is the SMILES notation for ethyl 4-trimethylsilylbutanoate?
The canonical SMILES for ethyl 4-trimethylsilylbutanoate is CCOC(=O)CCC[Si](C)(C)C.
What is the InChIKey of ethyl 4-trimethylsilylbutanoate?
The InChIKey is ZTVKGEALJSBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-11-9(10)7-6-8-12(2,3)4/h5-8H2,1-4H3.
What are the key properties of ethyl 4-trimethylsilylbutanoate?
ethyl 4-trimethylsilylbutanoate has a molecular weight of 188.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-trimethylsilylbutanoate is sourced from PubChem (CID 86594849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).