tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate

C43H56O5Si2 — CID 10974553

About tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate

tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate (PubChem CID 10974553) has the molecular formula C43H56O5Si2 and a molecular weight of 709.09 g/mol. Its IUPAC name is tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate
• PubChem CID: 10974553
• Molecular Formula: C43H56O5Si2
• Molecular Weight: 709.09 g/mol
• Exact Mass: 708.37
• IUPAC Name: tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate
• SMILES: CC(C)(C)OC(=O)C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C43H56O5Si2/c1-41(2,3)47-39(44)32-38(48-50(43(7,8)9,35-26-18-12-19-27-35)36-28-20-13-21-29-36)40-37(46-40)30-31-45-49(42(4,5)6,33-22-14-10-15-23-33)34-24-16-11-17-25-34/h10-29,37-38,40H,30-32H2,1-9H3/t37-,38-,40+/m1/s1
• InChIKey: JQZJWCANBNACJD-GGQMZCENSA-N
• XLogP: 7.40
• TPSA: 57.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.09
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate?

The IUPAC name of tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate (CID 10974553) is tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate.

What is the SMILES notation for tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate?

The canonical SMILES for tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate is CC(C)(C)OC(=O)C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate?

The InChIKey is JQZJWCANBNACJD-GGQMZCENSA-N. The full InChI is InChI=1S/C43H56O5Si2/c1-41(2,3)47-39(44)32-38(48-50(43(7,8)9,35-26-18-12-19-27-35)36-28-20-13-21-29-36)40-37(46-40)30-31-45-49(42(4,5)6,33-22-14-10-15-23-33)34-24-16-11-17-25-34/h10-29,37-38,40H,30-32H2,1-9H3/t37-,38-,40+/m1/s1.

What are the key properties of tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate?

tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate has a molecular weight of 709.09 g/mol, XLogP of 7.40, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-3-[(2S,3R)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxiran-2-yl]propanoate is sourced from PubChem (CID 10974553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).