tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane

C27H50O3Si2 — CID 134979327

About tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane (PubChem CID 134979327) has the molecular formula C27H50O3Si2 and a molecular weight of 478.87 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane
• PubChem CID: 134979327
• Molecular Formula: C27H50O3Si2
• Molecular Weight: 478.87 g/mol
• Exact Mass: 478.33
• IUPAC Name: tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane
• SMILES: CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H50O3Si2/c1-12-13-14-15-16-17-18-19-20-21-22-28-23-25(30-32(10,11)27(5,6)7)24-29-31(8,9)26(2,3)4/h13-22,25H,12,23-24H2,1-11H3/b14-13+,16-15+,18-17+,20-19+,22-21+/t25-/m1/s1
• InChIKey: NRIZCOPIOGTLNX-AQVNASIDSA-N
• XLogP: 8.56
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.87
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', '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-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane (CID 134979327) is tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane is CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane?

The InChIKey is NRIZCOPIOGTLNX-AQVNASIDSA-N. The full InChI is InChI=1S/C27H50O3Si2/c1-12-13-14-15-16-17-18-19-20-21-22-28-23-25(30-32(10,11)27(5,6)7)24-29-31(8,9)26(2,3)4/h13-22,25H,12,23-24H2,1-11H3/b14-13+,16-15+,18-17+,20-19+,22-21+/t25-/m1/s1.

What are the key properties of tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane?

tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane has a molecular weight of 478.87 g/mol, XLogP of 8.56, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134979327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).