[(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane

C30H34O2SSi — CID 134972263

IUPAC[(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane
SMILESC=C=C(CC/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)c1ccccc1
InChIInChI=1S/C30H34O2SSi/c1-5-26(33(31)27-19-10-6-11-20-27)18-12-9-17-25-32-34(30(2,3)4,28-21-13-7-14-22-28)29-23-15-8-16-24-29/h6-11,13-17,19-24H,1,12,18,25H2,2-4H3/b17-9-
InChIKeyCATJCLCBINUBTC-MFOYZWKCSA-N
MW486.75 g/mol
LogP6.38
Rot. Bonds10

About [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane

[(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane (PubChem CID 134972263) has the molecular formula C30H34O2SSi and a molecular weight of 486.75 g/mol. Its IUPAC name is [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane
PubChem CID134972263
Molecular FormulaC30H34O2SSi
Molecular Weight486.75 g/mol
Exact Mass486.20
IUPAC Name[(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane
SMILESC=C=C(CC/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)c1ccccc1
InChIInChI=1S/C30H34O2SSi/c1-5-26(33(31)27-19-10-6-11-20-27)18-12-9-17-25-32-34(30(2,3)4,28-21-13-7-14-22-28)29-23-15-8-16-24-29/h6-11,13-17,19-24H,1,12,18,25H2,2-4H3/b17-9-
InChIKeyCATJCLCBINUBTC-MFOYZWKCSA-N
XLogP6.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
Methyldiphenyl(2-(phenylsulfonyl)allyl)silane
CID 166637015
tert-butyl-[(Z,4S)-4-methyl-5-[(R)-phenylsulfinyl]pent-2-enoxy]-diphenylsilane
CID 10863530
[(2R)-3-(benzenesulfonyl)-2-methylpropoxy]-tert-butyl-diphenylsilane
CID 10994068
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-triphenylsilane
CID 15935891
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15935893
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-diphenylsilane
CID 16081893
(2R)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
CID 25038737
(2S)-1-[N-[tert-butyl(diphenyl)silyl]-S-phenylsulfonimidoyl]butan-2-ol
CID 25038738
[(1R)-3-(benzenesulfonyl)cyclohex-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 101872588
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

Frequently Asked Questions

What is the IUPAC name of [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane (CID 134972263) is [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane is C=C=C(CC/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)c1ccccc1.
What is the InChIKey of [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane?
The InChIKey is CATJCLCBINUBTC-MFOYZWKCSA-N. The full InChI is InChI=1S/C30H34O2SSi/c1-5-26(33(31)27-19-10-6-11-20-27)18-12-9-17-25-32-34(30(2,3)4,28-21-13-7-14-22-28)29-23-15-8-16-24-29/h6-11,13-17,19-24H,1,12,18,25H2,2-4H3/b17-9-.
What are the key properties of [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane?
[(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane has a molecular weight of 486.75 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-6-(benzenesulfinyl)octa-2,6,7-trienoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 134972263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).