tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate

C26H54N2O5Si2 — CID 140854447

About tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate

tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate (PubChem CID 140854447) has the molecular formula C26H54N2O5Si2 and a molecular weight of 530.90 g/mol. Its IUPAC name is tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate
• PubChem CID: 140854447
• Molecular Formula: C26H54N2O5Si2
• Molecular Weight: 530.90 g/mol
• Exact Mass: 530.36
• IUPAC Name: tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate
• SMILES: C=CCON[C@H]1CN(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H54N2O5Si2/c1-15-16-30-27-21-18-28(23(29)32-24(2,3)4)20(19-31-34(11,12)25(5,6)7)17-22(21)33-35(13,14)26(8,9)10/h15,20-22,27H,1,16-19H2,2-14H3/t20-,21-,22-/m0/s1
• InChIKey: KALVDAGEEDUXLZ-FKBYEOEOSA-N
• XLogP: 6.48
• TPSA: 69.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.90
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate?

The IUPAC name of tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate (CID 140854447) is tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate is C=CCON[C@H]1CN(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate?

The InChIKey is KALVDAGEEDUXLZ-FKBYEOEOSA-N. The full InChI is InChI=1S/C26H54N2O5Si2/c1-15-16-30-27-21-18-28(23(29)32-24(2,3)4)20(19-31-34(11,12)25(5,6)7)17-22(21)33-35(13,14)26(8,9)10/h15,20-22,27H,1,16-19H2,2-14H3/t20-,21-,22-/m0/s1.

What are the key properties of tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate?

tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate has a molecular weight of 530.90 g/mol, XLogP of 6.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(prop-2-enoxyamino)piperidine-1-carboxylate is sourced from PubChem (CID 140854447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).