tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate

C29H41NO5Si — CID 134835664

About tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134835664) has the molecular formula C29H41NO5Si and a molecular weight of 511.74 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate
• PubChem CID: 134835664
• Molecular Formula: C29H41NO5Si
• Molecular Weight: 511.74 g/mol
• Exact Mass: 511.28
• IUPAC Name: tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate
• SMILES: COCO[C@H]1C=CCN(C(=O)OC(C)(C)C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C29H41NO5Si/c1-28(2,3)35-27(31)30-20-14-19-26(33-22-32-7)25(30)21-34-36(29(4,5)6,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-19,25-26H,20-22H2,1-7H3/t25-,26-/m0/s1
• InChIKey: WMBYABNHCUOREK-UIOOFZCWSA-N
• XLogP: 4.73
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.74
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate?

The IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 134835664) is tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate is COCO[C@H]1C=CCN(C(=O)OC(C)(C)C)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate?

The InChIKey is WMBYABNHCUOREK-UIOOFZCWSA-N. The full InChI is InChI=1S/C29H41NO5Si/c1-28(2,3)35-27(31)30-20-14-19-26(33-22-32-7)25(30)21-34-36(29(4,5)6,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-19,25-26H,20-22H2,1-7H3/t25-,26-/m0/s1.

What are the key properties of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate?

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 511.74 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134835664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).