2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate

C14H27NO3Si — CID 23461787

IUPAC2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate
SMILESCC(=O)OCCC1(C)CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO3Si/c1-11(16)18-9-8-14(5)10-12(17)15(14)19(6,7)13(2,3)4/h8-10H2,1-7H3
InChIKeyJGDYSIAVBPDBCY-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.94
Rot. Bonds4

About 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate

2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate (PubChem CID 23461787) has the molecular formula C14H27NO3Si and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate
PubChem CID23461787
Molecular FormulaC14H27NO3Si
Molecular Weight285.46 g/mol
Exact Mass285.18
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate
SMILESCC(=O)OCCC1(C)CC(=O)N1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27NO3Si/c1-11(16)18-9-8-14(5)10-12(17)15(14)19(6,7)13(2,3)4/h8-10H2,1-7H3
InChIKeyJGDYSIAVBPDBCY-UHFFFAOYSA-N
XLogP2.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.94
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 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate (CID 23461787) is 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate is CC(=O)OCCC1(C)CC(=O)N1[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate?
The InChIKey is JGDYSIAVBPDBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3Si/c1-11(16)18-9-8-14(5)10-12(17)15(14)19(6,7)13(2,3)4/h8-10H2,1-7H3.
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate?
2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate has a molecular weight of 285.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]-2-methyl-4-oxoazetidin-2-yl]ethyl acetate is sourced from PubChem (CID 23461787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).