[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane

C17H28O3SSi — CID 162405619

IUPAC[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H28O3SSi/c1-17(2,3)22(4,5)20-14-10-7-11-15-21(18,19)16-12-8-6-9-13-16/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b15-11+
InChIKeyNQJUPZKXUCIBMW-RVDMUPIBSA-N
MW340.56 g/mol
LogP4.78
Rot. Bonds7

About [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane

[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane (PubChem CID 162405619) has the molecular formula C17H28O3SSi and a molecular weight of 340.56 g/mol. Its IUPAC name is [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
PubChem CID162405619
Molecular FormulaC17H28O3SSi
Molecular Weight340.56 g/mol
Exact Mass340.15
IUPAC Name[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H28O3SSi/c1-17(2,3)22(4,5)20-14-10-7-11-15-21(18,19)16-12-8-6-9-13-16/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b15-11+
InChIKeyNQJUPZKXUCIBMW-RVDMUPIBSA-N
XLogP4.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
AG-G-90643
CID 2724975
Silane, trimethyl[(phenylsulfonyl)ethynyl]-
CID 4183962
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
[(E)-1-(benzenesulfonyl)-1-fluoroprop-1-en-2-yl]-trimethylsilane
CID 134879679
tert-Butyl o-trimethylsilylphenyl sulfone
CID 546648
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Benzene, [(2-methoxyethenyl)sulfonyl]-, (E)-
CID 5367013
[(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
Methoxyvinyl phenyl sulfone
CID 555277

Frequently Asked Questions

What is the IUPAC name of [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane (CID 162405619) is [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is NQJUPZKXUCIBMW-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H28O3SSi/c1-17(2,3)22(4,5)20-14-10-7-11-15-21(18,19)16-12-8-6-9-13-16/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b15-11+.
What are the key properties of [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane?
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 340.56 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 162405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).