[(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate

C18H27NO4Si — CID 175730716

IUPAC[(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate
SMILESCC(=O)O[C@]1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)CN(C)C1=O
InChIInChI=1S/C18H27NO4Si/c1-13(20)22-18(12-19(5)16(18)21)14-9-8-10-15(11-14)23-24(6,7)17(2,3)4/h8-11H,12H2,1-7H3/t18-/m0/s1
InChIKeyGLIMCTAWJPVPAJ-SFHVURJKSA-N
MW349.50 g/mol
LogP3.30
Rot. Bonds4

About [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate

[(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate (PubChem CID 175730716) has the molecular formula C18H27NO4Si and a molecular weight of 349.50 g/mol. Its IUPAC name is [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate
PubChem CID175730716
Molecular FormulaC18H27NO4Si
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name[(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate
SMILESCC(=O)O[C@]1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)CN(C)C1=O
InChIInChI=1S/C18H27NO4Si/c1-13(20)22-18(12-19(5)16(18)21)14-9-8-10-15(11-14)23-24(6,7)17(2,3)4/h8-11H,12H2,1-7H3/t18-/m0/s1
InChIKeyGLIMCTAWJPVPAJ-SFHVURJKSA-N
XLogP3.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.30
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 [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate?
The IUPAC name of [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate (CID 175730716) is [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate.
What is the SMILES notation for [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate?
The canonical SMILES for [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate is CC(=O)O[C@]1(c2cccc(O[Si](C)(C)C(C)(C)C)c2)CN(C)C1=O.
What is the InChIKey of [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate?
The InChIKey is GLIMCTAWJPVPAJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO4Si/c1-13(20)22-18(12-19(5)16(18)21)14-9-8-10-15(11-14)23-24(6,7)17(2,3)4/h8-11H,12H2,1-7H3/t18-/m0/s1.
What are the key properties of [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate?
[(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate has a molecular weight of 349.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-2-oxoazetidin-3-yl] acetate is sourced from PubChem (CID 175730716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).