[(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane

C28H28O2SSi — CID 135055400

IUPAC[(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane
SMILESC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)[S@](C)=O
InChIInChI=1S/C28H28O2SSi/c1-23(28(31(2)29)24-15-7-3-8-16-24)30-32(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3/t23-,28-,31+/m1/s1
InChIKeyYYVQTIOTAHBHIT-JUJMZJBPSA-N
MW456.68 g/mol
LogP4.18
Rot. Bonds8

About [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane

[(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane (PubChem CID 135055400) has the molecular formula C28H28O2SSi and a molecular weight of 456.68 g/mol. Its IUPAC name is [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane.

Molecular Properties

Compound Name[(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane
PubChem CID135055400
Molecular FormulaC28H28O2SSi
Molecular Weight456.68 g/mol
Exact Mass456.16
IUPAC Name[(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane
SMILESC[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)[S@](C)=O
InChIInChI=1S/C28H28O2SSi/c1-23(28(31(2)29)24-15-7-3-8-16-24)30-32(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3/t23-,28-,31+/m1/s1
InChIKeyYYVQTIOTAHBHIT-JUJMZJBPSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.68
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl-bis(2-phenylethoxy)silane
CID 69050881
tert-butyl-dimethyl-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethoxy]silane
CID 12061433
tert-butyl-dimethyl-[(2R)-2-[(S)-methylsulfinyl]-2-phenylethoxy]silane
CID 12061434
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,2S)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane
CID 134929231
tert-butyl-[(1R,2R)-2-ethylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-diphenylsilane
CID 134929826
tert-butyl-[(E)-4-methyl-1-phenyl-3-phenylsulfanylhex-4-enoxy]-diphenylsilane
CID 135049507
[(1S,2R)-1-[(R)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane
CID 135055399
[(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane
CID 135079533
tert-butyl-dimethyl-[(1R)-2-[(S)-methylsulfinyl]-1-phenylethoxy]silane
CID 139248750
Tert-butyl-[4-(methylsulfinylmethyl)cyclohexyl]oxy-diphenylsilane
CID 176886403

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane?
The IUPAC name of [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane (CID 135055400) is [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane.
What is the SMILES notation for [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane?
The canonical SMILES for [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane is C[C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)[S@](C)=O.
What is the InChIKey of [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane?
The InChIKey is YYVQTIOTAHBHIT-JUJMZJBPSA-N. The full InChI is InChI=1S/C28H28O2SSi/c1-23(28(31(2)29)24-15-7-3-8-16-24)30-32(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3/t23-,28-,31+/m1/s1.
What are the key properties of [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane?
[(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane has a molecular weight of 456.68 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-[(S)-methylsulfinyl]-1-phenylpropan-2-yl]oxy-triphenylsilane is sourced from PubChem (CID 135055400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).