[(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane

C25H52O2Si3 — CID 11408767

About [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane

[(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane (PubChem CID 11408767) has the molecular formula C25H52O2Si3 and a molecular weight of 468.95 g/mol. Its IUPAC name is [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane
• PubChem CID: 11408767
• Molecular Formula: C25H52O2Si3
• Molecular Weight: 468.95 g/mol
• Exact Mass: 468.33
• IUPAC Name: [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane
• SMILES: CC(C)(C/C=C/CO[Si](C)(C)C(C)(C)C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H52O2Si3/c1-23(2,3)29(12,13)26-20-17-16-19-25(7,8)22(18-21-28(9,10)11)27-30(14,15)24(4,5)6/h16-17,22H,19-20H2,1-15H3/b17-16+
• InChIKey: BOWVMYJENSJJCK-WUKNDPDISA-N
• XLogP: 8.25
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.95
LogP ≤ 5	8.25
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': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane?

The IUPAC name of [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane (CID 11408767) is [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane.

What is the SMILES notation for [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane?

The canonical SMILES for [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane is CC(C)(C/C=C/CO[Si](C)(C)C(C)(C)C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane?

The InChIKey is BOWVMYJENSJJCK-WUKNDPDISA-N. The full InChI is InChI=1S/C25H52O2Si3/c1-23(2,3)29(12,13)26-20-17-16-19-25(7,8)22(18-21-28(9,10)11)27-30(14,15)24(4,5)6/h16-17,22H,19-20H2,1-15H3/b17-16+.

What are the key properties of [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane?

[(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane has a molecular weight of 468.95 g/mol, XLogP of 8.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethyloct-6-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11408767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).