[tert-butyl(dimethyl)silyl] butanoate

C10H22O2Si — CID 528096

IUPAC[tert-butyl(dimethyl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7-8H2,1-6H3
InChIKeyLYRXFUFOQFNGPJ-UHFFFAOYSA-N
MW202.37 g/mol
LogP3.33
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] butanoate

[tert-butyl(dimethyl)silyl] butanoate (PubChem CID 528096) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] butanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] butanoate
PubChem CID528096
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name[tert-butyl(dimethyl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7-8H2,1-6H3
InChIKeyLYRXFUFOQFNGPJ-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 53.33
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

Butanoic acid, 3-methyl-, trimethylsilyl ester
CID 187882
Butanoic acid, trimethylsilyl ester
CID 519322
Trimethyl(pivaloyloxy)silane
CID 11041219
Triethylsilyl propionate
CID 594353
tert-Butyl(dimethyl)silyl pentanoate
CID 528100
tert-Butyl(dimethyl)silyl propionate
CID 528101
Trimethylsilyl 3,3-dimethylbutanoate
CID 2733558
Methyl 4-trimethylsilylbutyrate
CID 85773683
Butyric acid, dimethyl(3,3,3-trifluoropropyl)silyl ester
CID 91718978
Trimethylsilyl 2-methylbutanoate
CID 521654
Butanoic acid, triethylsilyl ester
CID 599320
Propanoic acid, tripropylsilyl ester
CID 604402

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] butanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] butanoate (CID 528096) is [tert-butyl(dimethyl)silyl] butanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] butanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] butanoate is CCCC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] butanoate?
The InChIKey is LYRXFUFOQFNGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-7-8-9(11)12-13(5,6)10(2,3)4/h7-8H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] butanoate?
[tert-butyl(dimethyl)silyl] butanoate has a molecular weight of 202.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] butanoate is sourced from PubChem (CID 528096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).