tert-butyl 2-methyl-2-trimethylsilylpropanoate

C11H24O2Si — CID 23650779

IUPACtert-butyl 2-methyl-2-trimethylsilylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(2,3)13-9(12)11(4,5)14(6,7)8/h1-8H3
InChIKeyPAHGIUILJTVAIW-UHFFFAOYSA-N
MW216.40 g/mol
LogP3.45
Rot. Bonds2

About tert-butyl 2-methyl-2-trimethylsilylpropanoate

tert-butyl 2-methyl-2-trimethylsilylpropanoate (PubChem CID 23650779) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is tert-butyl 2-methyl-2-trimethylsilylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-2-trimethylsilylpropanoate
PubChem CID23650779
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametert-butyl 2-methyl-2-trimethylsilylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-10(2,3)13-9(12)11(4,5)14(6,7)8/h1-8H3
InChIKeyPAHGIUILJTVAIW-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968
tert-butyl 2-methyl-2-(methylamino)propanoate
CID 20649466
tert-butyl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 71672018
tert-butyl 2-(chloroamino)-2-methylpropanoate
CID 88577457
tert-butyl acetate
CID 159704758
tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 87603197
tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 15613838
tert-butyl 2-[tert-butyl(dimethyl)silyl]-2-oxoacetate
CID 11622880
tert-butyl 4-hydroxy-2,2-dimethylbutanoate
CID 150945134
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
ditert-butyl 2,2-dipropylpropanedioate
CID 174748782
tert-butyl 2-[hydroxy(dimethyl)silyl]acetate
CID 173499915

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-2-trimethylsilylpropanoate?
The IUPAC name of tert-butyl 2-methyl-2-trimethylsilylpropanoate (CID 23650779) is tert-butyl 2-methyl-2-trimethylsilylpropanoate.
What is the SMILES notation for tert-butyl 2-methyl-2-trimethylsilylpropanoate?
The canonical SMILES for tert-butyl 2-methyl-2-trimethylsilylpropanoate is CC(C)(C)OC(=O)C(C)(C)[Si](C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-2-trimethylsilylpropanoate?
The InChIKey is PAHGIUILJTVAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-10(2,3)13-9(12)11(4,5)14(6,7)8/h1-8H3.
What are the key properties of tert-butyl 2-methyl-2-trimethylsilylpropanoate?
tert-butyl 2-methyl-2-trimethylsilylpropanoate has a molecular weight of 216.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-2-trimethylsilylpropanoate is sourced from PubChem (CID 23650779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).