tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane

C18H30O3S2Si — CID 14133375

IUPACtert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane
SMILESCS/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H30O3S2Si/c1-14-9-11-16(12-10-14)23(19,20)17(22-6)13-15(2)21-24(7,8)18(3,4)5/h9-13,15H,1-8H3/b17-13+/t15-/m0/s1
InChIKeyCWXWEAMMCSODIB-XOAFGZPJSA-N
MW386.66 g/mol
LogP5.38
Rot. Bonds6

About tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane (PubChem CID 14133375) has the molecular formula C18H30O3S2Si and a molecular weight of 386.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane
PubChem CID14133375
Molecular FormulaC18H30O3S2Si
Molecular Weight386.66 g/mol
Exact Mass386.14
IUPAC Nametert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane
SMILESCS/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H30O3S2Si/c1-14-9-11-16(12-10-14)23(19,20)17(22-6)13-15(2)21-24(7,8)18(3,4)5/h9-13,15H,1-8H3/b17-13+/t15-/m0/s1
InChIKeyCWXWEAMMCSODIB-XOAFGZPJSA-N
XLogP5.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone
CID 5075769
1,1-Dioxo-2,3-dihydro-1lambda6-thiophen-3-yl 4-methylbenzene-1-sulfonate
CID 561408
trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane
CID 11076455
(2S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylpropan-1-yl Tosylate
CID 11371791
4-[Tert-butyl(dimethyl)silyl]oxybutan-2-yl 4-methylbenzenesulfonate
CID 15760345
Tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane
CID 156756205
[(3S)-3-triethylsilyloxybutyl] 4-methylbenzenesulfonate
CID 49856734
(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-ol
CID 10378560
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900
Silane, trimethyl[3-methyl-1-[(4-methylphenyl)sulfonyl]-1,2-butadienyl]-
CID 11098420
Tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane
CID 11221450

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane (CID 14133375) is tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane is CS/C(=C\[C@H](C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane?
The InChIKey is CWXWEAMMCSODIB-XOAFGZPJSA-N. The full InChI is InChI=1S/C18H30O3S2Si/c1-14-9-11-16(12-10-14)23(19,20)17(22-6)13-15(2)21-24(7,8)18(3,4)5/h9-13,15H,1-8H3/b17-13+/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane has a molecular weight of 386.66 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane is sourced from PubChem (CID 14133375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).