[tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate

C11H22O3Si — CID 91696404

IUPAC[tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate
SMILESCC(C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-8(2)9(12)10(13)14-15(6,7)11(3,4)5/h8H,1-7H3
InChIKeyDFWPYUOGPHUHLD-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.76
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate

[tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate (PubChem CID 91696404) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate
PubChem CID91696404
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name[tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate
SMILESCC(C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-8(2)9(12)10(13)14-15(6,7)11(3,4)5/h8H,1-7H3
InChIKeyDFWPYUOGPHUHLD-UHFFFAOYSA-N
XLogP2.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.76
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'}

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Related Compounds

Butanoic acid, 3-methyl-, trimethylsilyl ester
CID 187882
Butanoic acid, 3-methyl-2-oxo-, trimethylsilyl ester
CID 85989096
Trimethylsilyl 2-methylbutanoate
CID 521654
tert-Butyl(dimethyl)silyl 3-methylbutanoate
CID 528095
2-Ketoisocaproic acid, trimethylsilyl ester
CID 552379
tert-Butyl(dimethyl)silyl 4-methyl-2-oxopentanoate
CID 71329341
3-Methyl-2-oxovaleric acid, TMS derivative
CID 86150055
2-Ketobutyric acid, tert-butyldimethylsilyl ester
CID 91706642
Triethylsilyl 3-methylbutanoate
CID 170847747
Triethylsilyl 2-methylbutanoate
CID 170847748
Tripropylsilyl 2-methylbutanoate
CID 170847760
Tripropylsilyl 3-methylbutanoate
CID 170847761

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate (CID 91696404) is [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate is CC(C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate?
The InChIKey is DFWPYUOGPHUHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-8(2)9(12)10(13)14-15(6,7)11(3,4)5/h8H,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate?
[tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate has a molecular weight of 230.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-methyl-2-oxobutanoate is sourced from PubChem (CID 91696404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).