5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane

C20H34O4SSi — CID 10548912

IUPAC5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
SMILESCC(CCCCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H34O4SSi/c1-18(12-10-11-15-24-26(5,6)20(2,3)4)23-16-17-25(21,22)19-13-8-7-9-14-19/h7-9,13-14,16-18H,10-12,15H2,1-6H3/b17-16+
InChIKeyDXENVOWDRZVDGD-WUKNDPDISA-N
MW398.64 g/mol
LogP5.53
Rot. Bonds10

About 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane

5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane (PubChem CID 10548912) has the molecular formula C20H34O4SSi and a molecular weight of 398.64 g/mol. Its IUPAC name is 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
PubChem CID10548912
Molecular FormulaC20H34O4SSi
Molecular Weight398.64 g/mol
Exact Mass398.19
IUPAC Name5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
SMILESCC(CCCCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H34O4SSi/c1-18(12-10-11-15-24-26(5,6)20(2,3)4)23-16-17-25(21,22)19-13-8-7-9-14-19/h7-9,13-14,16-18H,10-12,15H2,1-6H3/b17-16+
InChIKeyDXENVOWDRZVDGD-WUKNDPDISA-N
XLogP5.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
tert-butyl-[4-(3,4-dihydro-2H-pyran-6-yl)-4-(4-methylphenyl)sulfonylbutoxy]-dimethylsilane
CID 11418855
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
[(4R,7E)-9-(benzenesulfonyl)-7-methylnona-1,7-dien-4-yl]oxy-tert-butyl-dimethylsilane
CID 11069577
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11133706
[(2R,3R)-1-[(2S)-6-[1-(benzenesulfonyl)-2-methylpropan-2-yl]-3,4-dihydro-2H-pyran-2-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11227178
[(E)-4-(benzenesulfonyl)but-3-en-2-yl]oxy-tri(propan-2-yl)silane
CID 15935843

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane?
The IUPAC name of 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane (CID 10548912) is 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane is CC(CCCCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane?
The InChIKey is DXENVOWDRZVDGD-WUKNDPDISA-N. The full InChI is InChI=1S/C20H34O4SSi/c1-18(12-10-11-15-24-26(5,6)20(2,3)4)23-16-17-25(21,22)19-13-8-7-9-14-19/h7-9,13-14,16-18H,10-12,15H2,1-6H3/b17-16+.
What are the key properties of 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane?
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane has a molecular weight of 398.64 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10548912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).