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

C23H48O6Si2 — CID 10648278

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

propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate (PubChem CID 10648278) has the molecular formula C23H48O6Si2 and a molecular weight of 476.80 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate.

Molecular Properties

• Compound Name: propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate
• PubChem CID: 10648278
• Molecular Formula: C23H48O6Si2
• Molecular Weight: 476.80 g/mol
• Exact Mass: 476.30
• IUPAC Name: propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate
• SMILES: CC(C)OC(=O)[C@H](C[C@]1(COCOCC[Si](C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C23H48O6Si2/c1-18(2)27-20(24)19(28-31(11,12)21(3,4)5)15-23(22(6,7)29-23)16-26-17-25-13-14-30(8,9)10/h18-19H,13-17H2,1-12H3/t19-,23+/m0/s1
• InChIKey: BHXLNTMYVWHUOE-WMZHIEFXSA-N
• XLogP: 5.59
• TPSA: 66.52 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.80
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate (CID 10648278) is propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate.

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

The canonical SMILES for propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate is CC(C)OC(=O)[C@H](C[C@]1(COCOCC[Si](C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C.

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

The InChIKey is BHXLNTMYVWHUOE-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H48O6Si2/c1-18(2)27-20(24)19(28-31(11,12)21(3,4)5)15-23(22(6,7)29-23)16-26-17-25-13-14-30(8,9)10/h18-19H,13-17H2,1-12H3/t19-,23+/m0/s1.

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

propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate has a molecular weight of 476.80 g/mol, XLogP of 5.59, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate is sourced from PubChem (CID 10648278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).