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

C34H54O5Si2 — CID 11028378

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

tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate (PubChem CID 11028378) has the molecular formula C34H54O5Si2 and a molecular weight of 598.97 g/mol. Its IUPAC name is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate
• PubChem CID: 11028378
• Molecular Formula: C34H54O5Si2
• Molecular Weight: 598.97 g/mol
• Exact Mass: 598.35
• IUPAC Name: tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate
• SMILES: CC(C)(C)OC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C34H54O5Si2/c1-32(2,3)38-30(35)25-29(39-40(10,11)33(4,5)6)31-28(37-31)23-18-24-36-41(34(7,8)9,26-19-14-12-15-20-26)27-21-16-13-17-22-27/h12-17,19-22,28-29,31H,18,23-25H2,1-11H3/t28-,29+,31-/m1/s1
• InChIKey: DLLJOYLIPGLNGG-ATNBEAFSSA-N
• XLogP: 7.23
• TPSA: 57.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.97
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate?

The IUPAC name of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate (CID 11028378) is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate.

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

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

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

The InChIKey is DLLJOYLIPGLNGG-ATNBEAFSSA-N. The full InChI is InChI=1S/C34H54O5Si2/c1-32(2,3)38-30(35)25-29(39-40(10,11)33(4,5)6)31-28(37-31)23-18-24-36-41(34(7,8)9,26-19-14-12-15-20-26)27-21-16-13-17-22-27/h12-17,19-22,28-29,31H,18,23-25H2,1-11H3/t28-,29+,31-/m1/s1.

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

tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate has a molecular weight of 598.97 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate is sourced from PubChem (CID 11028378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).