(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one

C₂₁H₃₇NO₃Si₂ — CID 10597548

About (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one

(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one (PubChem CID 10597548) has the molecular formula C₂₁H₃₇NO₃Si₂ and a molecular weight of 407.70 g/mol. Its IUPAC name is (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
• PubChem CID: 10597548
• Molecular Formula: C₂₁H₃₇NO₃Si₂
• Molecular Weight: 407.70 g/mol
• Exact Mass: 407.23
• IUPAC Name: (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one
• SMILES: C[C@@H](O)[C@@H]1C(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1
• InChI: InChI=1S/C21H37NO3Si2/c1-15(23)18-19(26(5,6)16-12-10-9-11-13-16)17(22-20(18)24)14-25-27(7,8)21(2,3)4/h9-13,15,17-19,23H,14H2,1-8H3,(H,22,24)/t15-,17-,18+,19-/m1/s1
• InChIKey: SFOGWLTZUVEUDP-OQIJWPOYSA-N
• XLogP: 3.49
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.70
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?

The IUPAC name of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one (CID 10597548) is (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one.

What is the SMILES notation for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?

The canonical SMILES for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one is C[C@@H](O)[C@@H]1C(=O)N[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1[Si](C)(C)c1ccccc1.

What is the InChIKey of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?

The InChIKey is SFOGWLTZUVEUDP-OQIJWPOYSA-N. The full InChI is InChI=1S/C21H37NO3Si2/c1-15(23)18-19(26(5,6)16-12-10-9-11-13-16)17(22-20(18)24)14-25-27(7,8)21(2,3)4/h9-13,15,17-19,23H,14H2,1-8H3,(H,22,24)/t15-,17-,18+,19-/m1/s1.

What are the key properties of (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one?

(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one has a molecular weight of 407.70 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[dimethyl(phenyl)silyl]-3-[(1R)-1-hydroxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 10597548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10597548 — identifiers, structure, computed properties (public domain)

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