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

C32H50O5Si2 — CID 10918838

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

tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate (PubChem CID 10918838) has the molecular formula C32H50O5Si2 and a molecular weight of 570.92 g/mol. Its IUPAC name is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate
• PubChem CID: 10918838
• Molecular Formula: C32H50O5Si2
• Molecular Weight: 570.92 g/mol
• Exact Mass: 570.32
• IUPAC Name: tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]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]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C32H50O5Si2/c1-30(2,3)36-28(33)22-26(37-38(10,11)31(4,5)6)29-27(35-29)23-34-39(32(7,8)9,24-18-14-12-15-19-24)25-20-16-13-17-21-25/h12-21,26-27,29H,22-23H2,1-11H3/t26-,27+,29-/m0/s1
• InChIKey: HZNPLCYJRFGDOV-GKRYNVPLSA-N
• XLogP: 6.45
• TPSA: 57.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.92
LogP ≤ 5	6.45
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 (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate?

The IUPAC name of tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate (CID 10918838) is tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate.

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

The canonical SMILES for tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]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]1CO[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-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate?

The InChIKey is HZNPLCYJRFGDOV-GKRYNVPLSA-N. The full InChI is InChI=1S/C32H50O5Si2/c1-30(2,3)36-28(33)22-26(37-38(10,11)31(4,5)6)29-27(35-29)23-34-39(32(7,8)9,24-18-14-12-15-19-24)25-20-16-13-17-21-25/h12-21,26-27,29H,22-23H2,1-11H3/t26-,27+,29-/m0/s1.

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

tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate has a molecular weight of 570.92 g/mol, XLogP of 6.45, 10 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-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]propanoate is sourced from PubChem (CID 10918838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).