methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate

C13H28O3Si — CID 22456916

IUPACmethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
SMILESCCC(CC)(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C13H28O3Si/c1-9-13(10-2,11(14)15-6)16-17(7,8)12(3,4)5/h9-10H2,1-8H3
InChIKeyWLNOBTJSXSHNDT-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.74
Rot. Bonds5

About methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate

methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate (PubChem CID 22456916) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
PubChem CID22456916
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate
SMILESCCC(CC)(O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C13H28O3Si/c1-9-13(10-2,11(14)15-6)16-17(7,8)12(3,4)5/h9-10H2,1-8H3
InChIKeyWLNOBTJSXSHNDT-UHFFFAOYSA-N
XLogP3.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate?
The IUPAC name of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate (CID 22456916) is methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate.
What is the SMILES notation for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate?
The canonical SMILES for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate is CCC(CC)(O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate?
The InChIKey is WLNOBTJSXSHNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-9-13(10-2,11(14)15-6)16-17(7,8)12(3,4)5/h9-10H2,1-8H3.
What are the key properties of methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate?
methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate has a molecular weight of 260.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutanoate is sourced from PubChem (CID 22456916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).