tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane

C26H50O2Si2 — CID 139252511

About tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane

tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane (PubChem CID 139252511) has the molecular formula C26H50O2Si2 and a molecular weight of 450.86 g/mol. Its IUPAC name is tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane
• PubChem CID: 139252511
• Molecular Formula: C26H50O2Si2
• Molecular Weight: 450.86 g/mol
• Exact Mass: 450.33
• IUPAC Name: tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane
• SMILES: CC/C=C\C/C=C\C[C@@H](/C=C\C=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H50O2Si2/c1-12-13-14-15-16-18-21-24(28-30(10,11)26(5,6)7)22-19-17-20-23-27-29(8,9)25(2,3)4/h13-14,16-20,22,24H,12,15,21,23H2,1-11H3/b14-13-,18-16-,20-17+,22-19-/t24-/m0/s1
• InChIKey: YCAAOPGLWKMMFA-WZXAEZPCSA-N
• XLogP: 8.81
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.86
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane (CID 139252511) is tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane is CC/C=C\C/C=C\C[C@@H](/C=C\C=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane?

The InChIKey is YCAAOPGLWKMMFA-WZXAEZPCSA-N. The full InChI is InChI=1S/C26H50O2Si2/c1-12-13-14-15-16-18-21-24(28-30(10,11)26(5,6)7)22-19-17-20-23-27-29(8,9)25(2,3)4/h13-14,16-20,22,24H,12,15,21,23H2,1-11H3/b14-13-,18-16-,20-17+,22-19-/t24-/m0/s1.

What are the key properties of tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane?

tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane has a molecular weight of 450.86 g/mol, XLogP of 8.81, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2E,4Z,6S,8Z,11Z)-6-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 139252511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).