tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C28H39NO3Si — CID 10742825

IUPACtert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C/[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1(C)C
InChIInChI=1S/C28H39NO3Si/c1-26(2,3)32-25(30)29-22(21-31-28(29,7)8)19-20-33(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-20,22H,21H2,1-8H3/b20-19+/t22-/m1/s1
InChIKeyGULFFVUIUFPZOT-YVHXKWHWSA-N
MW465.71 g/mol
LogP5.52
Rot. Bonds4

About tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10742825) has the molecular formula C28H39NO3Si and a molecular weight of 465.71 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10742825
Molecular FormulaC28H39NO3Si
Molecular Weight465.71 g/mol
Exact Mass465.27
IUPAC Nametert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C/[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1(C)C
InChIInChI=1S/C28H39NO3Si/c1-26(2,3)32-25(30)29-22(21-31-28(29,7)8)19-20-33(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-20,22H,21H2,1-8H3/b20-19+/t22-/m1/s1
InChIKeyGULFFVUIUFPZOT-YVHXKWHWSA-N
XLogP5.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 55.52
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 tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10742825) is tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](/C=C/[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is GULFFVUIUFPZOT-YVHXKWHWSA-N. The full InChI is InChI=1S/C28H39NO3Si/c1-26(2,3)32-25(30)29-22(21-31-28(29,7)8)19-20-33(27(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-20,22H,21H2,1-8H3/b20-19+/t22-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 465.71 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10742825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).