[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane

C30H30O3SSi — CID 15935891

IUPAC[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane
SMILESCC(C)C(/C=C/S(=O)(=O)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O3SSi/c1-25(2)30(23-24-34(31,32)26-15-7-3-8-16-26)33-35(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-25,30H,1-2H3/b24-23+
InChIKeyPMCJCFMSKQFXNU-WCWDXBQESA-N
MW498.72 g/mol
LogP4.68
Rot. Bonds9

About [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane

[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane (PubChem CID 15935891) has the molecular formula C30H30O3SSi and a molecular weight of 498.72 g/mol. Its IUPAC name is [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane.

Molecular Properties

Compound Name[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane
PubChem CID15935891
Molecular FormulaC30H30O3SSi
Molecular Weight498.72 g/mol
Exact Mass498.17
IUPAC Name[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane
SMILESCC(C)C(/C=C/S(=O)(=O)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30O3SSi/c1-25(2)30(23-24-34(31,32)26-15-7-3-8-16-26)33-35(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-25,30H,1-2H3/b24-23+
InChIKeyPMCJCFMSKQFXNU-WCWDXBQESA-N
XLogP4.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.72
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2Z,6Z,10Z)-1-(tert-Butyldiphenylsilyloxy)-9-benzenesulfonyl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 131749538
tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 10863530
[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994066
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane
CID 15935895
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 16081893
1,1-Bis(benzenesulfonyl)octa-6,7-dien-4-yloxy-tert-butyl-diphenylsilane
CID 101929825
tert-butyl-[(Z,4S)-4-methyl-5-[(S)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 134880777
tert-butyl-[(E,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 134880939
[1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]-2-methylpropoxy]-triphenylsilane
CID 134936973
[(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane
CID 134972263

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane?
The IUPAC name of [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane (CID 15935891) is [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane.
What is the SMILES notation for [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane?
The canonical SMILES for [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane is CC(C)C(/C=C/S(=O)(=O)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane?
The InChIKey is PMCJCFMSKQFXNU-WCWDXBQESA-N. The full InChI is InChI=1S/C30H30O3SSi/c1-25(2)30(23-24-34(31,32)26-15-7-3-8-16-26)33-35(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-25,30H,1-2H3/b24-23+.
What are the key properties of [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane?
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane has a molecular weight of 498.72 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane is sourced from PubChem (CID 15935891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).