[5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane

C27H54O2Si3 — CID 11990191

About [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane

[5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane (PubChem CID 11990191) has the molecular formula C27H54O2Si3 and a molecular weight of 494.99 g/mol. Its IUPAC name is [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane.

Molecular Properties

• Compound Name: [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane
• PubChem CID: 11990191
• Molecular Formula: C27H54O2Si3
• Molecular Weight: 494.99 g/mol
• Exact Mass: 494.34
• IUPAC Name: [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane
• SMILES: CC(=C=CC(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)CCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H54O2Si3/c1-24(18-17-22-28-31(11,12)26(2,3)4)20-21-25(19-15-16-23-30(8,9)10)29-32(13,14)27(5,6)7/h21,25H,15,17-19,22H2,1-14H3
• InChIKey: JALCWGYGLDOVKX-UHFFFAOYSA-N
• XLogP: 8.94
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.99
LogP ≤ 5	8.94
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': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane?

The IUPAC name of [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane (CID 11990191) is [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane.

What is the SMILES notation for [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane?

The canonical SMILES for [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane is CC(=C=CC(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)CCCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane?

The InChIKey is JALCWGYGLDOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O2Si3/c1-24(18-17-22-28-31(11,12)26(2,3)4)20-21-25(19-15-16-23-30(8,9)10)29-32(13,14)27(5,6)7/h21,25H,15,17-19,22H2,1-14H3.

What are the key properties of [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane?

[5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane has a molecular weight of 494.99 g/mol, XLogP of 8.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [5,11-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11990191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).