tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane

C25H52O2Si2 — CID 135022884

About tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane

tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane (PubChem CID 135022884) has the molecular formula C25H52O2Si2 and a molecular weight of 440.86 g/mol. Its IUPAC name is tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane
• PubChem CID: 135022884
• Molecular Formula: C25H52O2Si2
• Molecular Weight: 440.86 g/mol
• Exact Mass: 440.35
• IUPAC Name: tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane
• SMILES: C=C(/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)CCCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H52O2Si2/c1-22(17-13-15-19-26-28(9,10)24(3,4)5)21-23(2)18-14-16-20-27-29(11,12)25(6,7)8/h21H,1,13-20H2,2-12H3/b23-21+
• InChIKey: IZSMEROWGOWJMD-XTQSDGFTSA-N
• XLogP: 8.87
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.86
LogP ≤ 5	8.87
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-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane (CID 135022884) is tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane is C=C(/C=C(\C)CCCCO[Si](C)(C)C(C)(C)C)CCCCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane?

The InChIKey is IZSMEROWGOWJMD-XTQSDGFTSA-N. The full InChI is InChI=1S/C25H52O2Si2/c1-22(17-13-15-19-26-28(9,10)24(3,4)5)21-23(2)18-14-16-20-27-29(11,12)25(6,7)8/h21H,1,13-20H2,2-12H3/b23-21+.

What are the key properties of tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane?

tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane has a molecular weight of 440.86 g/mol, XLogP of 8.87, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E)-11-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-methylideneundec-5-enoxy]-dimethylsilane is sourced from PubChem (CID 135022884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).