[(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane

C26H48O5SSi2 — CID 11307070

About [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane

[(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane (PubChem CID 11307070) has the molecular formula C26H48O5SSi2 and a molecular weight of 528.90 g/mol. Its IUPAC name is [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane
• PubChem CID: 11307070
• Molecular Formula: C26H48O5SSi2
• Molecular Weight: 528.90 g/mol
• Exact Mass: 528.28
• IUPAC Name: [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane
• SMILES: C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC[C@H]([C@](C)(CCS(=O)(=O)c2ccccc2)O[Si](C)(C)C)O1
• InChI: InChI=1S/C26H48O5SSi2/c1-21(30-34(10,11)24(2,3)4)25(5)18-17-23(29-25)26(6,31-33(7,8)9)19-20-32(27,28)22-15-13-12-14-16-22/h12-16,21,23H,17-20H2,1-11H3/t21-,23-,25+,26+/m1/s1
• InChIKey: XODQKWFFHOZUFP-KUSCKROYSA-N
• XLogP: 6.81
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.90
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane?

The IUPAC name of [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane (CID 11307070) is [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane.

What is the SMILES notation for [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane?

The canonical SMILES for [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC[C@H]([C@](C)(CCS(=O)(=O)c2ccccc2)O[Si](C)(C)C)O1.

What is the InChIKey of [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane?

The InChIKey is XODQKWFFHOZUFP-KUSCKROYSA-N. The full InChI is InChI=1S/C26H48O5SSi2/c1-21(30-34(10,11)24(2,3)4)25(5)18-17-23(29-25)26(6,31-33(7,8)9)19-20-32(27,28)22-15-13-12-14-16-22/h12-16,21,23H,17-20H2,1-11H3/t21-,23-,25+,26+/m1/s1.

What are the key properties of [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane?

[(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane has a molecular weight of 528.90 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 11307070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).