[(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane

C24H40O5SSi — CID 52920662

About [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane

[(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane (PubChem CID 52920662) has the molecular formula C24H40O5SSi and a molecular weight of 468.73 g/mol. Its IUPAC name is [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
• PubChem CID: 52920662
• Molecular Formula: C24H40O5SSi
• Molecular Weight: 468.73 g/mol
• Exact Mass: 468.24
• IUPAC Name: [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
• SMILES: C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC[C@H]([C@]2(C)CCC(S(=O)(=O)c3ccccc3)O2)O1
• InChI: InChI=1S/C24H40O5SSi/c1-18(29-31(7,8)22(2,3)4)23(5)16-14-20(27-23)24(6)17-15-21(28-24)30(25,26)19-12-10-9-11-13-19/h9-13,18,20-21H,14-17H2,1-8H3/t18-,20-,21?,23+,24+/m1/s1
• InChIKey: NWSLEMFBZNYOBR-CEUHIQRZSA-N
• XLogP: 5.70
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.73
LogP ≤ 5	5.70
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 [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane (CID 52920662) is [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)CC[C@H]([C@]2(C)CCC(S(=O)(=O)c3ccccc3)O2)O1.

What is the InChIKey of [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane?

The InChIKey is NWSLEMFBZNYOBR-CEUHIQRZSA-N. The full InChI is InChI=1S/C24H40O5SSi/c1-18(29-31(7,8)22(2,3)4)23(5)16-14-20(27-23)24(6)17-15-21(28-24)30(25,26)19-12-10-9-11-13-19/h9-13,18,20-21H,14-17H2,1-8H3/t18-,20-,21?,23+,24+/m1/s1.

What are the key properties of [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane?

[(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane has a molecular weight of 468.73 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[(2S,5R)-5-[(2S)-5-(benzenesulfonyl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 52920662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).