[(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane

C18H26O3SSi — CID 10665588

IUPAC[(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC=C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26O3SSi/c1-18(2,3)23(4,5)21-16-13-9-10-14-17(16)22(19,20)15-11-7-6-8-12-15/h6-14,16-17H,1-5H3/t16-,17-/m1/s1
InChIKeyZBWKNPCQVUONGM-IAGOWNOFSA-N
MW350.56 g/mol
LogP4.35
Rot. Bonds4

About [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10665588) has the molecular formula C18H26O3SSi and a molecular weight of 350.56 g/mol. Its IUPAC name is [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10665588
Molecular FormulaC18H26O3SSi
Molecular Weight350.56 g/mol
Exact Mass350.14
IUPAC Name[(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC=C[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26O3SSi/c1-18(2,3)23(4,5)21-16-13-9-10-14-17(16)22(19,20)15-11-7-6-8-12-15/h6-14,16-17H,1-5H3/t16-,17-/m1/s1
InChIKeyZBWKNPCQVUONGM-IAGOWNOFSA-N
XLogP4.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 54.35
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
(2Z,6Z,10Z)-1-(tert-Butyldiphenylsilyloxy)-9-benzenesulfonyl-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 131749538
diethoxy-[(E)-3-(4-fluorophenyl)sulfonylprop-1-enyl]-methylsilane
CID 90224556
Diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane
CID 90224596
Triethoxy-[3-(4-fluorophenyl)sulfonylpropyl]silane
CID 90226899

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane (CID 10665588) is [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C=CC=C[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ZBWKNPCQVUONGM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26O3SSi/c1-18(2,3)23(4,5)21-16-13-9-10-14-17(16)22(19,20)15-11-7-6-8-12-15/h6-14,16-17H,1-5H3/t16-,17-/m1/s1.
What are the key properties of [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 350.56 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-6-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10665588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).