tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane

C28H46O2S4Si2 — CID 22401858

IUPACtert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)Sc1ccc(SSc2ccc(SC(C)O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H46O2S4Si2/c1-21(29-35(9,10)27(3,4)5)31-23-13-17-25(18-14-23)33-34-26-19-15-24(16-20-26)32-22(2)30-36(11,12)28(6,7)8/h13-22H,1-12H3
InChIKeyZJMCCALRWWOIPI-UHFFFAOYSA-N
MW599.11 g/mol
LogP11.41
Rot. Bonds11

About tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane

tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane (PubChem CID 22401858) has the molecular formula C28H46O2S4Si2 and a molecular weight of 599.11 g/mol. Its IUPAC name is tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane
PubChem CID22401858
Molecular FormulaC28H46O2S4Si2
Molecular Weight599.11 g/mol
Exact Mass598.19
IUPAC Nametert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)Sc1ccc(SSc2ccc(SC(C)O[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H46O2S4Si2/c1-21(29-35(9,10)27(3,4)5)31-23-13-17-25(18-14-23)33-34-26-19-15-24(16-20-26)32-22(2)30-36(11,12)28(6,7)8/h13-22H,1-12H3
InChIKeyZJMCCALRWWOIPI-UHFFFAOYSA-N
XLogP11.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.11
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane (CID 22401858) is tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane is CC(O[Si](C)(C)C(C)(C)C)Sc1ccc(SSc2ccc(SC(C)O[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane?
The InChIKey is ZJMCCALRWWOIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O2S4Si2/c1-21(29-35(9,10)27(3,4)5)31-23-13-17-25(18-14-23)33-34-26-19-15-24(16-20-26)32-22(2)30-36(11,12)28(6,7)8/h13-22H,1-12H3.
What are the key properties of tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane?
tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane has a molecular weight of 599.11 g/mol, XLogP of 11.41, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[4-[[4-[1-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane is sourced from PubChem (CID 22401858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).