[4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane

C32H40O4SSi — CID 11114333

About [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane

[4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane (PubChem CID 11114333) has the molecular formula C32H40O4SSi and a molecular weight of 548.82 g/mol. Its IUPAC name is [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane
• PubChem CID: 11114333
• Molecular Formula: C32H40O4SSi
• Molecular Weight: 548.82 g/mol
• Exact Mass: 548.24
• IUPAC Name: [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCCCC(C=C(c1ccccc1)c1ccccc1)O/C=C\S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C32H40O4SSi/c1-32(2,3)38(4,5)36-23-15-20-29(35-24-25-37(33,34)30-21-13-8-14-22-30)26-31(27-16-9-6-10-17-27)28-18-11-7-12-19-28/h6-14,16-19,21-22,24-26,29H,15,20,23H2,1-5H3/b25-24-
• InChIKey: BRPGEXLVWHVAFB-IZHYLOQSSA-N
• XLogP: 8.25
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.82
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane (CID 11114333) is [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC(C=C(c1ccccc1)c1ccccc1)O/C=C\S(=O)(=O)c1ccccc1.

What is the InChIKey of [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane?

The InChIKey is BRPGEXLVWHVAFB-IZHYLOQSSA-N. The full InChI is InChI=1S/C32H40O4SSi/c1-32(2,3)38(4,5)36-23-15-20-29(35-24-25-37(33,34)30-21-13-8-14-22-30)26-31(27-16-9-6-10-17-27)28-18-11-7-12-19-28/h6-14,16-19,21-22,24-26,29H,15,20,23H2,1-5H3/b25-24-.

What are the key properties of [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane?

[4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 548.82 g/mol, XLogP of 8.25, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(Z)-2-(benzenesulfonyl)ethenoxy]-6,6-diphenylhex-5-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11114333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).