tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane

C16H26OSSi — CID 134981924

IUPACtert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane
SMILESC=C(Sc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26OSSi/c1-13(17-19(6,7)16(3,4)5)14(2)18-15-11-9-8-10-12-15/h8-13H,2H2,1,3-7H3/t13-/m0/s1
InChIKeyWNHAUXAGRXFGJH-ZDUSSCGKSA-N
MW294.54 g/mol
LogP5.70
Rot. Bonds5

About tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane (PubChem CID 134981924) has the molecular formula C16H26OSSi and a molecular weight of 294.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane
PubChem CID134981924
Molecular FormulaC16H26OSSi
Molecular Weight294.54 g/mol
Exact Mass294.15
IUPAC Nametert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane
SMILESC=C(Sc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26OSSi/c1-13(17-19(6,7)16(3,4)5)14(2)18-15-11-9-8-10-12-15/h8-13H,2H2,1,3-7H3/t13-/m0/s1
InChIKeyWNHAUXAGRXFGJH-ZDUSSCGKSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
Silane, trimethyl[[1-(phenylthio)ethenyl]oxy]-
CID 11447442
Trimethylsilyloxymethyl phenyl sulfide
CID 12572068
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
Trimethoxy(3-phenylsulfanylpropyl)silane
CID 21413534
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
S-phenyl 2-trimethylsilyloxyethanethioate
CID 85713199
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
Triethoxy(3-phenylsulfanylpropyl)silane
CID 151300368
(2-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 151615759

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane (CID 134981924) is tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane is C=C(Sc1ccccc1)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane?
The InChIKey is WNHAUXAGRXFGJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26OSSi/c1-13(17-19(6,7)16(3,4)5)14(2)18-15-11-9-8-10-12-15/h8-13H,2H2,1,3-7H3/t13-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane has a molecular weight of 294.54 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-3-phenylsulfanylbut-3-en-2-yl]oxysilane is sourced from PubChem (CID 134981924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).