[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate

C13H26O4Si — CID 154707211

IUPAC[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate
SMILESCC(=O)O[C@H](C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-10(12(8-14)17-11(2)15)9-16-18(6,7)13(3,4)5/h8,10,12H,9H2,1-7H3/t10-,12+/m0/s1
InChIKeyCUYIEJQZOLFBAG-CMPLNLGQSA-N
MW274.43 g/mol
LogP2.77
Rot. Bonds6

About [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate

[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate (PubChem CID 154707211) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate
PubChem CID154707211
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate
SMILESCC(=O)O[C@H](C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O4Si/c1-10(12(8-14)17-11(2)15)9-16-18(6,7)13(3,4)5/h8,10,12H,9H2,1-7H3/t10-,12+/m0/s1
InChIKeyCUYIEJQZOLFBAG-CMPLNLGQSA-N
XLogP2.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate?
The IUPAC name of [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate (CID 154707211) is [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate?
The canonical SMILES for [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate is CC(=O)O[C@H](C=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate?
The InChIKey is CUYIEJQZOLFBAG-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-10(12(8-14)17-11(2)15)9-16-18(6,7)13(3,4)5/h8,10,12H,9H2,1-7H3/t10-,12+/m0/s1.
What are the key properties of [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate?
[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate has a molecular weight of 274.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-1-oxobutan-2-yl] acetate is sourced from PubChem (CID 154707211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).