tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane

C35H54O2Si2 — CID 11092946

About tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane

tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane (PubChem CID 11092946) has the molecular formula C35H54O2Si2 and a molecular weight of 562.99 g/mol. Its IUPAC name is tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane
• PubChem CID: 11092946
• Molecular Formula: C35H54O2Si2
• Molecular Weight: 562.99 g/mol
• Exact Mass: 562.37
• IUPAC Name: tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane
• SMILES: C/C=C(/C=C/C=C/CCCCCO[Si](C)(C)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C35H54O2Si2/c1-10-31(24-18-14-12-11-13-15-23-29-36-38(8,9)34(2,3)4)30-37-39(35(5,6)7,32-25-19-16-20-26-32)33-27-21-17-22-28-33/h10,12,14,16-22,24-28H,11,13,15,23,29-30H2,1-9H3/b14-12+,24-18+,31-10-
• InChIKey: SQJZCNFDGNUBEY-FWIRQJDWSA-N
• XLogP: 9.20
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.99
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane (CID 11092946) is tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane.

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

The canonical SMILES for tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane is C/C=C(/C=C/C=C/CCCCCO[Si](C)(C)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

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

The InChIKey is SQJZCNFDGNUBEY-FWIRQJDWSA-N. The full InChI is InChI=1S/C35H54O2Si2/c1-10-31(24-18-14-12-11-13-15-23-29-36-38(8,9)34(2,3)4)30-37-39(35(5,6)7,32-25-19-16-20-26-32)33-27-21-17-22-28-33/h10,12,14,16-22,24-28H,11,13,15,23,29-30H2,1-9H3/b14-12+,24-18+,31-10-.

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

tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane has a molecular weight of 562.99 g/mol, XLogP of 9.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2Z,3E,5E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylideneundeca-3,5-dienoxy]-diphenylsilane is sourced from PubChem (CID 11092946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).