(4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one

C19H27NO3Si — CID 10688900

About (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10688900) has the molecular formula C19H27NO3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 10688900
• Molecular Formula: C19H27NO3Si
• Molecular Weight: 345.52 g/mol
• Exact Mass: 345.18
• IUPAC Name: (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C=C(/C=C/N1C(=O)OC[C@H]1c1ccccc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C19H27NO3Si/c1-15(23-24(5,6)19(2,3)4)12-13-20-17(14-22-18(20)21)16-10-8-7-9-11-16/h7-13,17H,1,14H2,2-6H3/b13-12+/t17-/m0/s1
• InChIKey: GYWQKGNQYGTNTI-UJGDBWEASA-N
• XLogP: 5.23
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	345.52
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one (CID 10688900) is (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one is C=C(/C=C/N1C(=O)OC[C@H]1c1ccccc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is GYWQKGNQYGTNTI-UJGDBWEASA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-15(23-24(5,6)19(2,3)4)12-13-20-17(14-22-18(20)21)16-10-8-7-9-11-16/h7-13,17H,1,14H2,2-6H3/b13-12+/t17-/m0/s1.

What are the key properties of (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one?

(4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 345.52 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).