(4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one

C24H35NO4Si — CID 57382150

About (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 57382150) has the molecular formula C24H35NO4Si and a molecular weight of 429.63 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one
• PubChem CID: 57382150
• Molecular Formula: C24H35NO4Si
• Molecular Weight: 429.63 g/mol
• Exact Mass: 429.23
• IUPAC Name: (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one
• SMILES: C=C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](/C=C/C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H35NO4Si/c1-8-13-21(29-30(6,7)24(3,4)5)20(9-2)22(26)25-19(17-28-23(25)27)16-18-14-11-10-12-15-18/h8-15,19-21H,2,16-17H2,1,3-7H3/b13-8+/t19-,20-,21+/m0/s1
• InChIKey: ZEOUUXVRKQAOQK-PJKKIMDRSA-N
• XLogP: 5.35
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.63
LogP ≤ 5	5.35
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 (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one (CID 57382150) is (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one is C=C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](/C=C/C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one?

The InChIKey is ZEOUUXVRKQAOQK-PJKKIMDRSA-N. The full InChI is InChI=1S/C24H35NO4Si/c1-8-13-21(29-30(6,7)24(3,4)5)20(9-2)22(26)25-19(17-28-23(25)27)16-18-14-11-10-12-15-18/h8-15,19-21H,2,16-17H2,1,3-7H3/b13-8+/t19-,20-,21+/m0/s1.

What are the key properties of (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one?

(4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 429.63 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylhex-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57382150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).