4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane

C19H32O4SSi — CID 10762622

IUPAC4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
SMILESCC(CCCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H32O4SSi/c1-17(11-10-14-23-25(5,6)19(2,3)4)22-15-16-24(20,21)18-12-8-7-9-13-18/h7-9,12-13,15-17H,10-11,14H2,1-6H3/b16-15+
InChIKeyDJUSCPSGLYCEIY-FOCLMDBBSA-N
MW384.61 g/mol
LogP5.14
Rot. Bonds9

About 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane

4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane (PubChem CID 10762622) has the molecular formula C19H32O4SSi and a molecular weight of 384.61 g/mol. Its IUPAC name is 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
PubChem CID10762622
Molecular FormulaC19H32O4SSi
Molecular Weight384.61 g/mol
Exact Mass384.18
IUPAC Name4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
SMILESCC(CCCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H32O4SSi/c1-17(11-10-14-23-25(5,6)19(2,3)4)22-15-16-24(20,21)18-12-8-7-9-13-18/h7-9,12-13,15-17H,10-11,14H2,1-6H3/b16-15+
InChIKeyDJUSCPSGLYCEIY-FOCLMDBBSA-N
XLogP5.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 55.14
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
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
(2R,3S,6E)-5-(benzenesulfonyl)-2-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-3-ol
CID 14704706
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
[(3S)-1-[(2S,5R)-5-[2-(benzenesulfonyl)ethyl]-3-methylideneoxolan-2-yl]-5-methylhepta-5,6-dien-3-yl]oxy-triethylsilane
CID 141676408
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
[6-(Benzenesulfonyl)-2-methylhexan-2-yl]oxy-triethylsilane
CID 14101984
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane (CID 10762622) is 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane is CC(CCCO[Si](C)(C)C(C)(C)C)O/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane?
The InChIKey is DJUSCPSGLYCEIY-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H32O4SSi/c1-17(11-10-14-23-25(5,6)19(2,3)4)22-15-16-24(20,21)18-12-8-7-9-13-18/h7-9,12-13,15-17H,10-11,14H2,1-6H3/b16-15+.
What are the key properties of 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane?
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane has a molecular weight of 384.61 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10762622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).