(trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane

C40H90S8Si2 — CID 149435193

IUPAC(trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane
SMILESCCCCCCS(CCCCCC)(CCCCCC)[SiH2]CCSSSSSSCC[SiH2]S(CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C40H90S8Si2/c1-7-13-19-25-33-47(34-26-20-14-8-2,35-27-21-15-9-3)49-39-31-41-43-45-46-44-42-32-40-50-48(36-28-22-16-10-4,37-29-23-17-11-5)38-30-24-18-12-6/h7-40,49-50H2,1-6H3
InChIKeyYYIUINZZCXGAEI-UHFFFAOYSA-N
MW883.87 g/mol
LogP17.06
Rot. Bonds43

About (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane

(trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane (PubChem CID 149435193) has the molecular formula C40H90S8Si2 and a molecular weight of 883.87 g/mol. Its IUPAC name is (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane.

Molecular Properties

Compound Name(trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane
PubChem CID149435193
Molecular FormulaC40H90S8Si2
Molecular Weight883.87 g/mol
Exact Mass882.43
IUPAC Name(trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane
SMILESCCCCCCS(CCCCCC)(CCCCCC)[SiH2]CCSSSSSSCC[SiH2]S(CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C40H90S8Si2/c1-7-13-19-25-33-47(34-26-20-14-8-2,35-27-21-15-9-3)49-39-31-41-43-45-46-44-42-32-40-50-48(36-28-22-16-10-4,37-29-23-17-11-5)38-30-24-18-12-6/h7-40,49-50H2,1-6H3
InChIKeyYYIUINZZCXGAEI-UHFFFAOYSA-N
XLogP17.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds43
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.87
LogP ≤ 517.06
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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Related Compounds

1-(dodecylhexasulfanyl)dodecane
CID 139607418
1-(octadecylhexasulfanyl)octadecane
CID 54412885
tridecoxy-[2-(2-tridecoxysilylethyltetrasulfanyl)ethyl]silane
CID 159645445
1-(hexyltrisulfanyl)octadecane
CID 140815608
1-(butyltrisulfanyl)octane
CID 141156696
1-(propylheptasulfanyl)propane
CID 14123249
trifluoro(octyl)-λ4-sulfane
CID 19024890
trihexyl(methyl)-λ4-sulfane
CID 138739733
dichloro-hexyl-methyl-λ4-sulfane
CID 142899698
1-(tetrasulfanyl)nonane
CID 91506220
heptyl(trimethyl)-λ4-sulfane
CID 155014090
decane;heptane
CID 159049036

Frequently Asked Questions

What is the IUPAC name of (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane?
The IUPAC name of (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane (CID 149435193) is (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane.
What is the SMILES notation for (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane?
The canonical SMILES for (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane is CCCCCCS(CCCCCC)(CCCCCC)[SiH2]CCSSSSSSCC[SiH2]S(CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane?
The InChIKey is YYIUINZZCXGAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H90S8Si2/c1-7-13-19-25-33-47(34-26-20-14-8-2,35-27-21-15-9-3)49-39-31-41-43-45-46-44-42-32-40-50-48(36-28-22-16-10-4,37-29-23-17-11-5)38-30-24-18-12-6/h7-40,49-50H2,1-6H3.
What are the key properties of (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane?
(trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane has a molecular weight of 883.87 g/mol, XLogP of 17.06, 43 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (trihexyl-λ4-sulfanyl)-[2-[2-(trihexyl-λ4-sulfanyl)silylethylhexasulfanyl]ethyl]silane is sourced from PubChem (CID 149435193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).