(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one

C₂₃H₃₁NO₂Si — CID 151268860

About (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one

(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one (PubChem CID 151268860) has the molecular formula C₂₃H₃₁NO₂Si and a molecular weight of 381.59 g/mol. Its IUPAC name is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one
• PubChem CID: 151268860
• Molecular Formula: C₂₃H₃₁NO₂Si
• Molecular Weight: 381.59 g/mol
• Exact Mass: 381.21
• IUPAC Name: (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one
• SMILES: CC[C@@H]1CC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C23H31NO2Si/c1-5-18-16-22(25)24-21(18)17-26-27(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3,(H,24,25)/t18-,21-/m1/s1
• InChIKey: NVXPPBJTSHUMEF-WIYYLYMNSA-N
• XLogP: 3.48
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.59
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one?

The IUPAC name of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one (CID 151268860) is (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one.

What is the SMILES notation for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one?

The canonical SMILES for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one is CC[C@@H]1CC(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one?

The InChIKey is NVXPPBJTSHUMEF-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-5-18-16-22(25)24-21(18)17-26-27(23(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,5,16-17H2,1-4H3,(H,24,25)/t18-,21-/m1/s1.

What are the key properties of (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one?

(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one has a molecular weight of 381.59 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethylpyrrolidin-2-one is sourced from PubChem (CID 151268860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151268860 — identifiers, structure, computed properties (public domain)

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