trimethylsilyl 2-oxo-3-trimethylsilylpropanoate

C9H20O3Si2 — CID 589978

IUPACtrimethylsilyl 2-oxo-3-trimethylsilylpropanoate
SMILESC[Si](C)(C)CC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si2/c1-13(2,3)7-8(10)9(11)12-14(4,5)6/h7H2,1-6H3
InChIKeyTZIOQNGVGAWBSO-UHFFFAOYSA-N
MW232.43 g/mol
LogP2.27
Rot. Bonds4

About trimethylsilyl 2-oxo-3-trimethylsilylpropanoate

trimethylsilyl 2-oxo-3-trimethylsilylpropanoate (PubChem CID 589978) has the molecular formula C9H20O3Si2 and a molecular weight of 232.43 g/mol. Its IUPAC name is trimethylsilyl 2-oxo-3-trimethylsilylpropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-oxo-3-trimethylsilylpropanoate
PubChem CID589978
Molecular FormulaC9H20O3Si2
Molecular Weight232.43 g/mol
Exact Mass232.10
IUPAC Nametrimethylsilyl 2-oxo-3-trimethylsilylpropanoate
SMILESC[Si](C)(C)CC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C9H20O3Si2/c1-13(2,3)7-8(10)9(11)12-14(4,5)6/h7H2,1-6H3
InChIKeyTZIOQNGVGAWBSO-UHFFFAOYSA-N
XLogP2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethylsilyl 2-oxo-3-trimethylsilylpropanoate 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 trimethylsilyl 2-oxo-3-trimethylsilylpropanoate?
The IUPAC name of trimethylsilyl 2-oxo-3-trimethylsilylpropanoate (CID 589978) is trimethylsilyl 2-oxo-3-trimethylsilylpropanoate.
What is the SMILES notation for trimethylsilyl 2-oxo-3-trimethylsilylpropanoate?
The canonical SMILES for trimethylsilyl 2-oxo-3-trimethylsilylpropanoate is C[Si](C)(C)CC(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-oxo-3-trimethylsilylpropanoate?
The InChIKey is TZIOQNGVGAWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si2/c1-13(2,3)7-8(10)9(11)12-14(4,5)6/h7H2,1-6H3.
What are the key properties of trimethylsilyl 2-oxo-3-trimethylsilylpropanoate?
trimethylsilyl 2-oxo-3-trimethylsilylpropanoate has a molecular weight of 232.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-oxo-3-trimethylsilylpropanoate is sourced from PubChem (CID 589978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).