tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate

C31H43NO4Si — CID 135013944

About tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 135013944) has the molecular formula C31H43NO4Si and a molecular weight of 521.77 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate
• PubChem CID: 135013944
• Molecular Formula: C31H43NO4Si
• Molecular Weight: 521.77 g/mol
• Exact Mass: 521.30
• IUPAC Name: tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C(=O)CC[C@H]1/C=C\CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C31H43NO4Si/c1-30(2,3)36-29(34)32-25(22-23-28(32)33)17-11-7-8-16-24-35-37(31(4,5)6,26-18-12-9-13-19-26)27-20-14-10-15-21-27/h9-15,17-21,25H,7-8,16,22-24H2,1-6H3/b17-11-/t25-/m1/s1
• InChIKey: UTHUOOOKURNIHY-ZIXDRAHYSA-N
• XLogP: 6.22
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.77
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate (CID 135013944) is tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1/C=C\CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate?

The InChIKey is UTHUOOOKURNIHY-ZIXDRAHYSA-N. The full InChI is InChI=1S/C31H43NO4Si/c1-30(2,3)36-29(34)32-25(22-23-28(32)33)17-11-7-8-16-24-35-37(31(4,5)6,26-18-12-9-13-19-26)27-20-14-10-15-21-27/h9-15,17-21,25H,7-8,16,22-24H2,1-6H3/b17-11-/t25-/m1/s1.

What are the key properties of tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate?

tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 521.77 g/mol, XLogP of 6.22, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 135013944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).