trimethylsilylmethyl 3-oxobutanoate

C8H16O3Si — CID 12624404

IUPACtrimethylsilylmethyl 3-oxobutanoate
SMILESCC(=O)CC(=O)OC[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-7(9)5-8(10)11-6-12(2,3)4/h5-6H2,1-4H3
InChIKeyORSAGQAYGROKNP-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.39
Rot. Bonds4

About trimethylsilylmethyl 3-oxobutanoate

trimethylsilylmethyl 3-oxobutanoate (PubChem CID 12624404) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is trimethylsilylmethyl 3-oxobutanoate.

Molecular Properties

Compound Nametrimethylsilylmethyl 3-oxobutanoate
PubChem CID12624404
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Nametrimethylsilylmethyl 3-oxobutanoate
SMILESCC(=O)CC(=O)OC[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-7(9)5-8(10)11-6-12(2,3)4/h5-6H2,1-4H3
InChIKeyORSAGQAYGROKNP-UHFFFAOYSA-N
XLogP1.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.39
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 trimethylsilylmethyl 3-oxobutanoate?
The IUPAC name of trimethylsilylmethyl 3-oxobutanoate (CID 12624404) is trimethylsilylmethyl 3-oxobutanoate.
What is the SMILES notation for trimethylsilylmethyl 3-oxobutanoate?
The canonical SMILES for trimethylsilylmethyl 3-oxobutanoate is CC(=O)CC(=O)OC[Si](C)(C)C.
What is the InChIKey of trimethylsilylmethyl 3-oxobutanoate?
The InChIKey is ORSAGQAYGROKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-7(9)5-8(10)11-6-12(2,3)4/h5-6H2,1-4H3.
What are the key properties of trimethylsilylmethyl 3-oxobutanoate?
trimethylsilylmethyl 3-oxobutanoate has a molecular weight of 188.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl 3-oxobutanoate is sourced from PubChem (CID 12624404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).