ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane

C14H34S6Si2 — CID 87789582

IUPACethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane
SMILESCCS[Si](C)(C)CCCSSSSCCC[Si](C)(C)SCC
InChIInChI=1S/C14H34S6Si2/c1-7-17-21(3,4)13-9-11-15-19-20-16-12-10-14-22(5,6)18-8-2/h7-14H2,1-6H3
InChIKeyXXLCNPZJMZWUKZ-UHFFFAOYSA-N
MW451.00 g/mol
LogP8.36
Rot. Bonds15

About ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane

ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane (PubChem CID 87789582) has the molecular formula C14H34S6Si2 and a molecular weight of 451.00 g/mol. Its IUPAC name is ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane.

Molecular Properties

Compound Nameethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane
PubChem CID87789582
Molecular FormulaC14H34S6Si2
Molecular Weight451.00 g/mol
Exact Mass450.05
IUPAC Nameethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane
SMILESCCS[Si](C)(C)CCCSSSSCCC[Si](C)(C)SCC
InChIInChI=1S/C14H34S6Si2/c1-7-17-21(3,4)13-9-11-15-19-20-16-12-10-14-22(5,6)18-8-2/h7-14H2,1-6H3
InChIKeyXXLCNPZJMZWUKZ-UHFFFAOYSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.00
LogP ≤ 58.36
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 ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane?
The IUPAC name of ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane (CID 87789582) is ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane.
What is the SMILES notation for ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane?
The canonical SMILES for ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane is CCS[Si](C)(C)CCCSSSSCCC[Si](C)(C)SCC.
What is the InChIKey of ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane?
The InChIKey is XXLCNPZJMZWUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34S6Si2/c1-7-17-21(3,4)13-9-11-15-19-20-16-12-10-14-22(5,6)18-8-2/h7-14H2,1-6H3.
What are the key properties of ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane?
ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane has a molecular weight of 451.00 g/mol, XLogP of 8.36, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl-[3-[3-[ethylsulfanyl(dimethyl)silyl]propyltetrasulfanyl]propyl]-dimethylsilane is sourced from PubChem (CID 87789582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).