(4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

C33H39NO4Si — CID 102197822

About (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 102197822) has the molecular formula C33H39NO4Si and a molecular weight of 541.76 g/mol. Its IUPAC name is (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 102197822
• Molecular Formula: C33H39NO4Si
• Molecular Weight: 541.76 g/mol
• Exact Mass: 541.26
• IUPAC Name: (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C=C[C@@](C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1
• InChI: InChI=1S/C33H39NO4Si/c1-6-33(5,24-30(35)34-29(25-37-31(34)36)26-16-10-7-11-17-26)22-23-38-39(32(2,3)4,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h6-21,29H,1,22-25H2,2-5H3/t29-,33-/m0/s1
• InChIKey: WXQUBMVVOJQGLL-ZQAZVOLISA-N
• XLogP: 6.26
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.76
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 102197822) is (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is C=C[C@@](C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)N1C(=O)OC[C@H]1c1ccccc1.

What is the InChIKey of (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is WXQUBMVVOJQGLL-ZQAZVOLISA-N. The full InChI is InChI=1S/C33H39NO4Si/c1-6-33(5,24-30(35)34-29(25-37-31(34)36)26-16-10-7-11-17-26)22-23-38-39(32(2,3)4,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h6-21,29H,1,22-25H2,2-5H3/t29-,33-/m0/s1.

What are the key properties of (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one?

(4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 541.76 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102197822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).