[3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate

C13H25NO4Si — CID 173232100

IUPAC[3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-8(15)18-12-10(11(16)14-12)9(13(2,3)4)7-17-19(5)6/h9-10,12,19H,7H2,1-6H3,(H,14,16)
InChIKeyYRHXOMKGQHQFJF-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.28
Rot. Bonds5

About [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate

[3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate (PubChem CID 173232100) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate
PubChem CID173232100
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name[3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-8(15)18-12-10(11(16)14-12)9(13(2,3)4)7-17-19(5)6/h9-10,12,19H,7H2,1-6H3,(H,14,16)
InChIKeyYRHXOMKGQHQFJF-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate (CID 173232100) is [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate is CC(=O)OC1NC(=O)C1C(CO[SiH](C)C)C(C)(C)C.
What is the InChIKey of [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate?
The InChIKey is YRHXOMKGQHQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-8(15)18-12-10(11(16)14-12)9(13(2,3)4)7-17-19(5)6/h9-10,12,19H,7H2,1-6H3,(H,14,16).
What are the key properties of [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate?
[3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate has a molecular weight of 287.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-dimethylsilyloxy-3,3-dimethylbutan-2-yl)-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 173232100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).