tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane

C26H58O5Si2 — CID 134928896

IUPACtert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane
SMILESCCCCCCCC(CCC(OCCOC)OO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58O5Si2/c1-13-14-15-16-17-18-23(30-32(9,10)25(2,3)4)19-20-24(28-22-21-27-8)29-31-33(11,12)26(5,6)7/h23-24H,13-22H2,1-12H3
InChIKeyNONVUMAAVVJLMG-UHFFFAOYSA-N
MW506.92 g/mol
LogP8.46
Rot. Bonds18

About tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane

tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane (PubChem CID 134928896) has the molecular formula C26H58O5Si2 and a molecular weight of 506.92 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane
PubChem CID134928896
Molecular FormulaC26H58O5Si2
Molecular Weight506.92 g/mol
Exact Mass506.38
IUPAC Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane
SMILESCCCCCCCC(CCC(OCCOC)OO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58O5Si2/c1-13-14-15-16-17-18-23(30-32(9,10)25(2,3)4)19-20-24(28-22-21-27-8)29-31-33(11,12)26(5,6)7/h23-24H,13-22H2,1-12H3
InChIKeyNONVUMAAVVJLMG-UHFFFAOYSA-N
XLogP8.46
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.92
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane?
The IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane (CID 134928896) is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane is CCCCCCCC(CCC(OCCOC)OO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane?
The InChIKey is NONVUMAAVVJLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H58O5Si2/c1-13-14-15-16-17-18-23(30-32(9,10)25(2,3)4)19-20-24(28-22-21-27-8)29-31-33(11,12)26(5,6)7/h23-24H,13-22H2,1-12H3.
What are the key properties of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane?
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane has a molecular weight of 506.92 g/mol, XLogP of 8.46, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxy)undecyl]peroxy-dimethylsilane is sourced from PubChem (CID 134928896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).