tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane

C23H34OSSi — CID 134929228

IUPACtert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane
SMILESCCS[C@H](c1ccc(C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H34OSSi/c1-8-25-22(20-16-14-18(2)15-17-20)21(19-12-10-9-11-13-19)24-26(6,7)23(3,4)5/h9-17,21-22H,8H2,1-7H3/t21-,22-/m1/s1
InChIKeyUPKKESOMYUDTOL-FGZHOGPDSA-N
MW386.68 g/mol
LogP7.55
Rot. Bonds7

About tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane

tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane (PubChem CID 134929228) has the molecular formula C23H34OSSi and a molecular weight of 386.68 g/mol. Its IUPAC name is tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane
PubChem CID134929228
Molecular FormulaC23H34OSSi
Molecular Weight386.68 g/mol
Exact Mass386.21
IUPAC Nametert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane
SMILESCCS[C@H](c1ccc(C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H34OSSi/c1-8-25-22(20-16-14-18(2)15-17-20)21(19-12-10-9-11-13-19)24-26(6,7)23(3,4)5/h9-17,21-22H,8H2,1-7H3/t21-,22-/m1/s1
InChIKeyUPKKESOMYUDTOL-FGZHOGPDSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 57.55
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, (diphenylmethoxy)trimethyl-
CID 597386
Silane, dimethylphenyl(1-phenylethoxy)-
CID 11054287
tert-butyl-[(E)-5-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]pent-3-enoxy]-dimethylsilane
CID 12124315
dimethyl-phenyl-[(Z)-5-triethylsilyloxy-5-[4-(trifluoromethyl)phenyl]pent-2-enyl]silane
CID 154720026
(1R,2S)-2-tert-butylsulfanyl-1,3-diphenylpropan-1-ol
CID 15257346
Benzhydryloxy(triethyl)silane
CID 11403798
Benzhydryloxy-tert-butyl-dimethylsilane
CID 11483397
Tert-butyl-dimethyl-[(4-phenylphenyl)methoxy]silane
CID 11738087
triethyl-[(E)-2-methyl-1,3-diphenylprop-2-enoxy]silane
CID 12130401
triethyl-[(E,1R)-2-methyl-1,3-diphenylprop-2-enoxy]silane
CID 102515903
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
Dimethyl-phenyl-[1-[4-(trifluoromethyl)phenyl]ethoxy]silane
CID 142748813

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane (CID 134929228) is tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane is CCS[C@H](c1ccc(C)cc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane?
The InChIKey is UPKKESOMYUDTOL-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H34OSSi/c1-8-25-22(20-16-14-18(2)15-17-20)21(19-12-10-9-11-13-19)24-26(6,7)23(3,4)5/h9-17,21-22H,8H2,1-7H3/t21-,22-/m1/s1.
What are the key properties of tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane?
tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane has a molecular weight of 386.68 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane is sourced from PubChem (CID 134929228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).