tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane

C20H28OSSi — CID 135018969

IUPACtert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CSc1ccccc1)c1ccccc1
InChIInChI=1S/C20H28OSSi/c1-20(2,3)23(4,5)21-19(17-12-8-6-9-13-17)16-22-18-14-10-7-11-15-18/h6-15,19H,16H2,1-5H3/t19-/m1/s1
InChIKeySSKPAQBISRDUAA-LJQANCHMSA-N
MW344.60 g/mol
LogP6.54
Rot. Bonds6

About tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane

tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane (PubChem CID 135018969) has the molecular formula C20H28OSSi and a molecular weight of 344.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane
PubChem CID135018969
Molecular FormulaC20H28OSSi
Molecular Weight344.60 g/mol
Exact Mass344.16
IUPAC Nametert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CSc1ccccc1)c1ccccc1
InChIInChI=1S/C20H28OSSi/c1-20(2,3)23(4,5)21-19(17-12-8-6-9-13-17)16-22-18-14-10-7-11-15-18/h6-15,19H,16H2,1-5H3/t19-/m1/s1
InChIKeySSKPAQBISRDUAA-LJQANCHMSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.60
LogP ≤ 56.54
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, dimethylphenyl(1-phenylethoxy)-
CID 11054287
1-Phenyl-3-(phenylthio)propan-1-ol
CID 12488334
(1R)-1-phenyl-3-phenylsulfanylpropan-1-ol
CID 93514489
(2-(Dimethyl(4-(methylsulfanyl)phenyl)silyl)phenyl)methanol
CID 57416883
[2,2-Difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
CID 132604593
tert-butyl-dimethyl-[(Z,1R)-3-nitro-1-phenyl-3-phenylsulfanylprop-2-enoxy]silane
CID 10453697
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
1-Phenyl-2-(phenylthio)ethanol
CID 11117871
Benzhydryloxy(triethyl)silane
CID 11403798
Benzhydryloxy-tert-butyl-dimethylsilane
CID 11483397
triethyl-[(E)-2-methyl-1,3-diphenylprop-2-enoxy]silane
CID 12130401
2-[(4-Methylphenyl)thio]-1-phenylethanol
CID 13840758

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane (CID 135018969) is tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane is CC(C)(C)[Si](C)(C)O[C@H](CSc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane?
The InChIKey is SSKPAQBISRDUAA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28OSSi/c1-20(2,3)23(4,5)21-19(17-12-8-6-9-13-17)16-22-18-14-10-7-11-15-18/h6-15,19H,16H2,1-5H3/t19-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane?
tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane has a molecular weight of 344.60 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-phenyl-2-phenylsulfanylethoxy]silane is sourced from PubChem (CID 135018969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).