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

C33H38OSSi — CID 134929231

IUPACtert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane
SMILESCCS[C@@H](c1ccc(C)cc1)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C33H38OSSi/c1-6-35-32(28-24-22-26(2)23-25-28)31(27-16-10-7-11-17-27)34-36(33(3,4)5,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25,31-32H,6H2,1-5H3/t31-,32+/m1/s1
InChIKeyIAECRDKLXBZMLV-ZWXJPIIXSA-N
MW510.82 g/mol
LogP8.11
Rot. Bonds9

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

tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane (PubChem CID 134929231) has the molecular formula C33H38OSSi and a molecular weight of 510.82 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane
PubChem CID134929231
Molecular FormulaC33H38OSSi
Molecular Weight510.82 g/mol
Exact Mass510.24
IUPAC Nametert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane
SMILESCCS[C@@H](c1ccc(C)cc1)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C33H38OSSi/c1-6-35-32(28-24-22-26(2)23-25-28)31(27-16-10-7-11-17-27)34-36(33(3,4)5,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25,31-32H,6H2,1-5H3/t31-,32+/m1/s1
InChIKeyIAECRDKLXBZMLV-ZWXJPIIXSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.82
LogP ≤ 58.11
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

Diphenyldi(1-phenylethoxy)silane
CID 68535172
(E)-3-dodecylsulfanyl-1,2,3-triphenylprop-2-en-1-ol
CID 11329249
Dibenzhydryloxy(diphenyl)silane
CID 85946603
tert-butyl-diphenyl-[(E,1R)-1-phenyl-5-phenylsulfanylhex-3-enoxy]silane
CID 101917497
Tert-butyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]-diphenylsilane
CID 134878629
tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane
CID 134929228
tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-propylsulfanylethoxy]silane
CID 134929229
[(1R,2R)-2-benzylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 134929314
tert-butyl-dimethyl-[(1R,2R)-2-(4-methylphenyl)-1-phenyl-2-propylsulfanylethoxy]silane
CID 134929576
tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-propan-2-ylsulfanylethoxy]silane
CID 134929577
tert-butyl-[(1R,2R)-2-tert-butylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-dimethylsilane
CID 134929578
tert-butyl-dimethyl-[(1R,2S)-2-(4-methylphenyl)-1-phenyl-2-prop-2-enylsulfanylethoxy]silane
CID 134929579

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane (CID 134929231) is tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane is CCS[C@@H](c1ccc(C)cc1)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane?
The InChIKey is IAECRDKLXBZMLV-ZWXJPIIXSA-N. The full InChI is InChI=1S/C33H38OSSi/c1-6-35-32(28-24-22-26(2)23-25-28)31(27-16-10-7-11-17-27)34-36(33(3,4)5,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-25,31-32H,6H2,1-5H3/t31-,32+/m1/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane?
tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane has a molecular weight of 510.82 g/mol, XLogP of 8.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane is sourced from PubChem (CID 134929231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).