trimethylsilyl 2-methyl-3-oxobutanoate

C8H16O3Si — CID 91749585

IUPACtrimethylsilyl 2-methyl-3-oxobutanoate
SMILESCC(=O)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-6(7(2)9)8(10)11-12(3,4)5/h6H,1-5H3
InChIKeyHDYNRULYUKFBAI-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.59
Rot. Bonds3

About trimethylsilyl 2-methyl-3-oxobutanoate

trimethylsilyl 2-methyl-3-oxobutanoate (PubChem CID 91749585) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is trimethylsilyl 2-methyl-3-oxobutanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-methyl-3-oxobutanoate
PubChem CID91749585
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Nametrimethylsilyl 2-methyl-3-oxobutanoate
SMILESCC(=O)C(C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-6(7(2)9)8(10)11-12(3,4)5/h6H,1-5H3
InChIKeyHDYNRULYUKFBAI-UHFFFAOYSA-N
XLogP1.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.59
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-methyl-3-oxobutanoate?
The IUPAC name of trimethylsilyl 2-methyl-3-oxobutanoate (CID 91749585) is trimethylsilyl 2-methyl-3-oxobutanoate.
What is the SMILES notation for trimethylsilyl 2-methyl-3-oxobutanoate?
The canonical SMILES for trimethylsilyl 2-methyl-3-oxobutanoate is CC(=O)C(C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-methyl-3-oxobutanoate?
The InChIKey is HDYNRULYUKFBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-6(7(2)9)8(10)11-12(3,4)5/h6H,1-5H3.
What are the key properties of trimethylsilyl 2-methyl-3-oxobutanoate?
trimethylsilyl 2-methyl-3-oxobutanoate has a molecular weight of 188.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-methyl-3-oxobutanoate is sourced from PubChem (CID 91749585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).