[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane

C21H36O3SSi — CID 15935895

IUPAC[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)C(/C=C/S(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36O3SSi/c1-16(2)21(24-26(17(3)4,18(5)6)19(7)8)14-15-25(22,23)20-12-10-9-11-13-20/h9-19,21H,1-8H3/b15-14+
InChIKeyZBAKNPIXIXJMSD-CCEZHUSRSA-N
MW396.67 g/mol
LogP6.19
Rot. Bonds9

About [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane

[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 15935895) has the molecular formula C21H36O3SSi and a molecular weight of 396.67 g/mol. Its IUPAC name is [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID15935895
Molecular FormulaC21H36O3SSi
Molecular Weight396.67 g/mol
Exact Mass396.22
IUPAC Name[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)C(/C=C/S(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H36O3SSi/c1-16(2)21(24-26(17(3)4,18(5)6)19(7)8)14-15-25(22,23)20-12-10-9-11-13-20/h9-19,21H,1-8H3/b15-14+
InChIKeyZBAKNPIXIXJMSD-CCEZHUSRSA-N
XLogP6.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.67
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
[(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-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
3-(Benzenesulfonyl)propyl-triethoxysilane
CID 90226898
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane
CID 90224556
Diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane
CID 90224596
Tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane
CID 156756223
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane (CID 15935895) is [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane is CC(C)C(/C=C/S(=O)(=O)c1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is ZBAKNPIXIXJMSD-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H36O3SSi/c1-16(2)21(24-26(17(3)4,18(5)6)19(7)8)14-15-25(22,23)20-12-10-9-11-13-20/h9-19,21H,1-8H3/b15-14+.
What are the key properties of [(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane?
[(E)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 396.67 g/mol, XLogP of 6.19, 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-tri(propan-2-yl)silane is sourced from PubChem (CID 15935895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).