[(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane

C24H34O5SSi — CID 134840174

About [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane

[(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134840174) has the molecular formula C24H34O5SSi and a molecular weight of 462.68 g/mol. Its IUPAC name is [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 134840174
• Molecular Formula: C24H34O5SSi
• Molecular Weight: 462.68 g/mol
• Exact Mass: 462.19
• IUPAC Name: [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCC12C=C[C@](OC3CC=CC3)(O1)C(S(=O)(=O)c1ccccc1)C2
• InChI: InChI=1S/C24H34O5SSi/c1-22(2,3)31(4,5)27-18-23-15-16-24(29-23,28-19-11-9-10-12-19)21(17-23)30(25,26)20-13-7-6-8-14-20/h6-10,13-16,19,21H,11-12,17-18H2,1-5H3/t21?,23?,24-/m0/s1
• InChIKey: JWTATASTKXBZNK-HQNXYIODSA-N
• XLogP: 5.01
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.68
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane (CID 134840174) is [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC12C=C[C@](OC3CC=CC3)(O1)C(S(=O)(=O)c1ccccc1)C2.

What is the InChIKey of [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is JWTATASTKXBZNK-HQNXYIODSA-N. The full InChI is InChI=1S/C24H34O5SSi/c1-22(2,3)31(4,5)27-18-23-15-16-24(29-23,28-19-11-9-10-12-19)21(17-23)30(25,26)20-13-7-6-8-14-20/h6-10,13-16,19,21H,11-12,17-18H2,1-5H3/t21?,23?,24-/m0/s1.

What are the key properties of [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane?

[(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 462.68 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-5-(benzenesulfonyl)-4-cyclopent-3-en-1-yloxy-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134840174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).