tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane

C26H40O2Si2 — CID 102237855

IUPACtert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane
SMILESC=C(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C26H40O2Si2/c1-20(21-12-16-23(17-13-21)27-29(8,9)25(2,3)4)22-14-18-24(19-15-22)28-30(10,11)26(5,6)7/h12-19H,1H2,2-11H3
InChIKeyIHJKDEZRKQLVRJ-UHFFFAOYSA-N
MW440.78 g/mol
LogP8.52
Rot. Bonds6

About tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane

tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane (PubChem CID 102237855) has the molecular formula C26H40O2Si2 and a molecular weight of 440.78 g/mol. Its IUPAC name is tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane
PubChem CID102237855
Molecular FormulaC26H40O2Si2
Molecular Weight440.78 g/mol
Exact Mass440.26
IUPAC Nametert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane
SMILESC=C(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C26H40O2Si2/c1-20(21-12-16-23(17-13-21)27-29(8,9)25(2,3)4)22-14-18-24(19-15-22)28-30(10,11)26(5,6)7/h12-19H,1H2,2-11H3
InChIKeyIHJKDEZRKQLVRJ-UHFFFAOYSA-N
XLogP8.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.78
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane (CID 102237855) is tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane is C=C(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane?
The InChIKey is IHJKDEZRKQLVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si2/c1-20(21-12-16-23(17-13-21)27-29(8,9)25(2,3)4)22-14-18-24(19-15-22)28-30(10,11)26(5,6)7/h12-19H,1H2,2-11H3.
What are the key properties of tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane has a molecular weight of 440.78 g/mol, XLogP of 8.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethenyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 102237855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).