[(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane

C44H66O4SSi2 — CID 10533081

About [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane

[(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane (PubChem CID 10533081) has the molecular formula C44H66O4SSi2 and a molecular weight of 747.25 g/mol. Its IUPAC name is [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane.

Molecular Properties

• Compound Name: [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane
• PubChem CID: 10533081
• Molecular Formula: C44H66O4SSi2
• Molecular Weight: 747.25 g/mol
• Exact Mass: 746.42
• IUPAC Name: [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane
• SMILES: C/C(=C\CO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CC(C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C44H66O4SSi2/c1-35(2)41(34-48-51(44(8,9)10,39-27-18-14-19-28-39)40-29-20-15-21-30-40)42(49(45,46)38-25-16-13-17-26-38)33-37(4)24-22-23-36(3)31-32-47-50(11,12)43(5,6)7/h13-21,24-31,35,41-42H,22-23,32-34H2,1-12H3/b36-31+,37-24+
• InChIKey: BDSOFDINYGTFRH-CDGPPTRFSA-N
• XLogP: 10.76
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.25
LogP ≤ 5	10.76
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 [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane?

The IUPAC name of [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane (CID 10533081) is [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane.

What is the SMILES notation for [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane?

The canonical SMILES for [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane is C/C(=C\CO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CC(C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C)S(=O)(=O)c1ccccc1.

What is the InChIKey of [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane?

The InChIKey is BDSOFDINYGTFRH-CDGPPTRFSA-N. The full InChI is InChI=1S/C44H66O4SSi2/c1-35(2)41(34-48-51(44(8,9)10,39-27-18-14-19-28-39)40-29-20-15-21-30-40)42(49(45,46)38-25-16-13-17-26-38)33-37(4)24-22-23-36(3)31-32-47-50(11,12)43(5,6)7/h13-21,24-31,35,41-42H,22-23,32-34H2,1-12H3/b36-31+,37-24+.

What are the key properties of [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane?

[(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane has a molecular weight of 747.25 g/mol, XLogP of 10.76, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(5E,9E)-3-(benzenesulfonyl)-11-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyl-2-propan-2-ylundeca-5,9-dienoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 10533081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).