ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

C13H28O3Si — CID 554454

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCCOC(=O)C(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-9-15-12(14)10(2)11(3)16-17(7,8)13(4,5)6/h10-11H,9H2,1-8H3
InChIKeyXGUPFSAIGVSSLL-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds5

About ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate

ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (PubChem CID 554454) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
PubChem CID554454
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
SMILESCCOC(=O)C(C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-9-15-12(14)10(2)11(3)16-17(7,8)13(4,5)6/h10-11H,9H2,1-8H3
InChIKeyXGUPFSAIGVSSLL-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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 ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate (CID 554454) is ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is CCOC(=O)C(C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
The InChIKey is XGUPFSAIGVSSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-9-15-12(14)10(2)11(3)16-17(7,8)13(4,5)6/h10-11H,9H2,1-8H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate has a molecular weight of 260.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate is sourced from PubChem (CID 554454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).