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

C10H20O3Si — CID 91706642

IUPAC[tert-butyl(dimethyl)silyl] 2-oxobutanoate
SMILESCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O3Si/c1-7-8(11)9(12)13-14(5,6)10(2,3)4/h7H2,1-6H3
InChIKeyOUBLLMRWJIKKGY-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.51
Rot. Bonds3

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

[tert-butyl(dimethyl)silyl] 2-oxobutanoate (PubChem CID 91706642) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-oxobutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-oxobutanoate
PubChem CID91706642
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name[tert-butyl(dimethyl)silyl] 2-oxobutanoate
SMILESCCC(=O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O3Si/c1-7-8(11)9(12)13-14(5,6)10(2,3)4/h7H2,1-6H3
InChIKeyOUBLLMRWJIKKGY-UHFFFAOYSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.51
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-2-oxo-, trimethylsilyl ester
CID 85989096
Butanoic acid, triethylsilyl ester
CID 599320
Butanoic acid, DMTBS
CID 528096
Propanoic acid, 2-oxo-3-(trimethylsilyl)-, trimethylsilyl ester
CID 589978
alpha-Ketobutyric acid, TMS
CID 530073
tert-Butyl(dimethyl)silyl 4-methyl-2-oxopentanoate
CID 71329341
[Ethyl(dimethyl)silyl] butanoate
CID 554716
[Dimethyl(propan-2-yl)silyl] butanoate
CID 554722
Butanoic acid, triisopropylsilyl ester
CID 608410
Butanoic acid, tripropylsilyl ester
CID 608419
Trimethylsilyl 2-oxopentanoate
CID 530075
Butanoic acid, di(isopropyl)silyl ester
CID 6329448

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-oxobutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-oxobutanoate (CID 91706642) is [tert-butyl(dimethyl)silyl] 2-oxobutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-oxobutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-oxobutanoate is CCC(=O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-oxobutanoate?
The InChIKey is OUBLLMRWJIKKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-7-8(11)9(12)13-14(5,6)10(2,3)4/h7H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-oxobutanoate?
[tert-butyl(dimethyl)silyl] 2-oxobutanoate has a molecular weight of 216.35 g/mol, XLogP of 2.51, 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] 2-oxobutanoate is sourced from PubChem (CID 91706642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).