tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane

C28H46O2S4Si2 — CID 54371727

IUPACtert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCSc1ccc(SSc2ccc(SCCO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H46O2S4Si2/c1-27(2,3)35(7,8)29-19-21-31-23-11-15-25(16-12-23)33-34-26-17-13-24(14-18-26)32-22-20-30-36(9,10)28(4,5)6/h11-18H,19-22H2,1-10H3
InChIKeyUTRDVOKSMLRSRX-UHFFFAOYSA-N
MW599.11 g/mol
LogP10.71
Rot. Bonds13

About tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane

tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane (PubChem CID 54371727) has the molecular formula C28H46O2S4Si2 and a molecular weight of 599.11 g/mol. Its IUPAC name is tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane
PubChem CID54371727
Molecular FormulaC28H46O2S4Si2
Molecular Weight599.11 g/mol
Exact Mass598.19
IUPAC Nametert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCSc1ccc(SSc2ccc(SCCO[Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H46O2S4Si2/c1-27(2,3)35(7,8)29-19-21-31-23-11-15-25(16-12-23)33-34-26-17-13-24(14-18-26)32-22-20-30-36(9,10)28(4,5)6/h11-18H,19-22H2,1-10H3
InChIKeyUTRDVOKSMLRSRX-UHFFFAOYSA-N
XLogP10.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.11
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane (CID 54371727) is tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCSc1ccc(SSc2ccc(SCCO[Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane?
The InChIKey is UTRDVOKSMLRSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O2S4Si2/c1-27(2,3)35(7,8)29-19-21-31-23-11-15-25(16-12-23)33-34-26-17-13-24(14-18-26)32-22-20-30-36(9,10)28(4,5)6/h11-18H,19-22H2,1-10H3.
What are the key properties of tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane?
tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane has a molecular weight of 599.11 g/mol, XLogP of 10.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[4-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfanyl]phenyl]disulfanyl]phenyl]sulfanylethoxy]-dimethylsilane is sourced from PubChem (CID 54371727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).