[3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate

C13H25NO4Si — CID 173408020

IUPAC[3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1CC(C)(C)O[SiH2]C(C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-8(15)17-11-9(10(16)14-11)7-13(5,6)18-19-12(2,3)4/h9,11H,7,19H2,1-6H3,(H,14,16)
InChIKeyIHZCDEIZKAVHAB-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.11
Rot. Bonds5

About [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate

[3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate (PubChem CID 173408020) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate
PubChem CID173408020
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1CC(C)(C)O[SiH2]C(C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-8(15)17-11-9(10(16)14-11)7-13(5,6)18-19-12(2,3)4/h9,11H,7,19H2,1-6H3,(H,14,16)
InChIKeyIHZCDEIZKAVHAB-UHFFFAOYSA-N
XLogP1.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate (CID 173408020) is [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate is CC(=O)OC1NC(=O)C1CC(C)(C)O[SiH2]C(C)(C)C.
What is the InChIKey of [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate?
The InChIKey is IHZCDEIZKAVHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-8(15)17-11-9(10(16)14-11)7-13(5,6)18-19-12(2,3)4/h9,11H,7,19H2,1-6H3,(H,14,16).
What are the key properties of [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate?
[3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate has a molecular weight of 287.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butylsilyloxy-2-methylpropyl)-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 173408020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).