(4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C28H37NO3Si — CID 71530234

About (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 71530234) has the molecular formula C28H37NO3Si and a molecular weight of 463.69 g/mol. Its IUPAC name is (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one
• PubChem CID: 71530234
• Molecular Formula: C28H37NO3Si
• Molecular Weight: 463.69 g/mol
• Exact Mass: 463.25
• IUPAC Name: (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one
• SMILES: CCC(/C=C/CO[Si](C)(C)C(C)(C)C)=C\N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
• InChI: InChI=1S/C28H37NO3Si/c1-7-22(15-14-20-31-33(5,6)28(2,3)4)21-29-25(23-16-10-8-11-17-23)26(32-27(29)30)24-18-12-9-13-19-24/h8-19,21,25-26H,7,20H2,1-6H3/b15-14+,22-21+/t25-,26+/m0/s1
• InChIKey: UDDUGLHSVQAQBK-LGBDWHFYSA-N
• XLogP: 7.79
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.69
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 71530234) is (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one is CCC(/C=C/CO[Si](C)(C)C(C)(C)C)=C\N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.

What is the InChIKey of (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one?

The InChIKey is UDDUGLHSVQAQBK-LGBDWHFYSA-N. The full InChI is InChI=1S/C28H37NO3Si/c1-7-22(15-14-20-31-33(5,6)28(2,3)4)21-29-25(23-16-10-8-11-17-23)26(32-27(29)30)24-18-12-9-13-19-24/h8-19,21,25-26H,7,20H2,1-6H3/b15-14+,22-21+/t25-,26+/m0/s1.

What are the key properties of (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one?

(4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 463.69 g/mol, XLogP of 7.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-3-[(1E,3E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylpenta-1,3-dienyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71530234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).