[3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate

C13H25NO4Si — CID 173399167

IUPAC[3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)OC1C(C(C)(C)C)C(=O)N1C(C)O[SiH](C)C
InChIInChI=1S/C13H25NO4Si/c1-8(18-19(6)7)14-11(16)10(13(3,4)5)12(14)17-9(2)15/h8,10,12,19H,1-7H3
InChIKeyBQCYUDCHDLIFLQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.73
Rot. Bonds4

About [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate

[3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate (PubChem CID 173399167) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
PubChem CID173399167
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)OC1C(C(C)(C)C)C(=O)N1C(C)O[SiH](C)C
InChIInChI=1S/C13H25NO4Si/c1-8(18-19(6)7)14-11(16)10(13(3,4)5)12(14)17-9(2)15/h8,10,12,19H,1-7H3
InChIKeyBQCYUDCHDLIFLQ-UHFFFAOYSA-N
XLogP1.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate (CID 173399167) is [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate is CC(=O)OC1C(C(C)(C)C)C(=O)N1C(C)O[SiH](C)C.
What is the InChIKey of [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate?
The InChIKey is BQCYUDCHDLIFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-8(18-19(6)7)14-11(16)10(13(3,4)5)12(14)17-9(2)15/h8,10,12,19H,1-7H3.
What are the key properties of [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate?
[3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate has a molecular weight of 287.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-(1-dimethylsilyloxyethyl)-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 173399167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).