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

C12H24O3Si — CID 11622880

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate
SMILESCC(C)(C)OC(=O)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(2,3)15-9(13)10(14)16(7,8)12(4,5)6/h1-8H3
InChIKeyGGYHTNUVBJRLDM-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.94
Rot. Bonds2

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

tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate (PubChem CID 11622880) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate
PubChem CID11622880
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate
SMILESCC(C)(C)OC(=O)C(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-11(2,3)15-9(13)10(14)16(7,8)12(4,5)6/h1-8H3
InChIKeyGGYHTNUVBJRLDM-UHFFFAOYSA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate (CID 11622880) is tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate is CC(C)(C)OC(=O)C(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate?
The InChIKey is GGYHTNUVBJRLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-11(2,3)15-9(13)10(14)16(7,8)12(4,5)6/h1-8H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate has a molecular weight of 244.41 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate is sourced from PubChem (CID 11622880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).