tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane

C18H30OSSiTe — CID 10321508

IUPACtert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane
SMILESCCCC[Te]/C(=C\Sc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30OSSiTe/c1-7-8-14-22-17(19-21(5,6)18(2,3)4)15-20-16-12-10-9-11-13-16/h9-13,15H,7-8,14H2,1-6H3/b17-15-
InChIKeyPEXRCIRARKITQR-ICFOKQHNSA-N
MW450.19 g/mol
LogP6.52
Rot. Bonds8

About tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane

tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane (PubChem CID 10321508) has the molecular formula C18H30OSSiTe and a molecular weight of 450.19 g/mol. Its IUPAC name is tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane
PubChem CID10321508
Molecular FormulaC18H30OSSiTe
Molecular Weight450.19 g/mol
Exact Mass452.08
IUPAC Nametert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane
SMILESCCCC[Te]/C(=C\Sc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30OSSiTe/c1-7-8-14-22-17(19-21(5,6)18(2,3)4)15-20-16-12-10-9-11-13-16/h9-13,15H,7-8,14H2,1-6H3/b17-15-
InChIKeyPEXRCIRARKITQR-ICFOKQHNSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.19
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-chloro-3,3-dimethylbut-1-enyl]sulfanylbenzene
CID 125477364
[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene
CID 134987860
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
(Z)-2-iodo-3-methyl-1-phenylsulfanylpent-1-en-3-ol
CID 11359552
(Z)-1-[tert-butyl(dimethyl)silyl]-3-phenylsulfanylprop-2-en-1-one
CID 10934787
tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-propylsulfanylethoxy]silane
CID 134929229
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
2-O-[tert-butyl(dimethyl)silyl] 1-O-hexyl benzene-1,2-dicarboxylate
CID 91735887
[(E)-1-phenylsulfanylpent-1-en-2-yl] thiocyanate
CID 91715400
1-butyltellanylethenylbenzene
CID 11822305
tert-butyl-dimethyl-(2-methyl-1-phenylprop-1-enoxy)silane
CID 11391374
[tert-butyl(dimethyl)silyl] 2-phenylacetate
CID 528591

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane (CID 10321508) is tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane is CCCC[Te]/C(=C\Sc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane?
The InChIKey is PEXRCIRARKITQR-ICFOKQHNSA-N. The full InChI is InChI=1S/C18H30OSSiTe/c1-7-8-14-22-17(19-21(5,6)18(2,3)4)15-20-16-12-10-9-11-13-16/h9-13,15H,7-8,14H2,1-6H3/b17-15-.
What are the key properties of tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane?
tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane has a molecular weight of 450.19 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-1-butyltellanyl-2-phenylsulfanylethenoxy]-dimethylsilane is sourced from PubChem (CID 10321508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).