2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane

C23H38O4SSi — CID 102127109

About 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane

2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 102127109) has the molecular formula C23H38O4SSi and a molecular weight of 438.71 g/mol. Its IUPAC name is 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
• PubChem CID: 102127109
• Molecular Formula: C23H38O4SSi
• Molecular Weight: 438.71 g/mol
• Exact Mass: 438.23
• IUPAC Name: 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
• SMILES: C[C@H](C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)CS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C23H38O4SSi/c1-19(18-28(24,25)22-13-8-7-9-14-22)17-21-12-10-11-20(27-21)15-16-26-29(5,6)23(2,3)4/h7-11,13-14,19-21H,12,15-18H2,1-6H3/t19-,20+,21+/m1/s1
• InChIKey: QYQFNTFZZMIYJJ-HKBOAZHASA-N
• XLogP: 5.61
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.71
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?

The IUPAC name of 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane (CID 102127109) is 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?

The canonical SMILES for 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane is C[C@H](C[C@@H]1CC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)CS(=O)(=O)c1ccccc1.

What is the InChIKey of 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?

The InChIKey is QYQFNTFZZMIYJJ-HKBOAZHASA-N. The full InChI is InChI=1S/C23H38O4SSi/c1-19(18-28(24,25)22-13-8-7-9-14-22)17-21-12-10-11-20(27-21)15-16-26-29(5,6)23(2,3)4/h7-11,13-14,19-21H,12,15-18H2,1-6H3/t19-,20+,21+/m1/s1.

What are the key properties of 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane?

2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 438.71 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102127109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).