tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane

C16H28O2SSi — CID 12061432

IUPACtert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
SMILESCc1ccc([S@](=O)C[C@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H28O2SSi/c1-13-8-10-15(11-9-13)19(17)12-14(2)18-20(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3/t14-,19+/m0/s1
InChIKeyOXYHUTHXVIOYHN-IFXJQAMLSA-N
MW312.55 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane (PubChem CID 12061432) has the molecular formula C16H28O2SSi and a molecular weight of 312.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
PubChem CID12061432
Molecular FormulaC16H28O2SSi
Molecular Weight312.55 g/mol
Exact Mass312.16
IUPAC Nametert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
SMILESCc1ccc([S@](=O)C[C@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H28O2SSi/c1-13-8-10-15(11-9-13)19(17)12-14(2)18-20(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3/t14-,19+/m0/s1
InChIKeyOXYHUTHXVIOYHN-IFXJQAMLSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.51
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

(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10488905
(2R)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 13624105
(R,Z)-tert-butyl((9-fluoro-3-(p-tolylthio)nona-1,4-dien-4-yl)oxy)dimethylsilane
CID 134813840
(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 11030797
trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane
CID 11076455
tert-butyl-[4-(3,4-dihydro-2H-pyran-6-yl)-4-(4-methylphenyl)sulfonylbutoxy]-dimethylsilane
CID 11418855
1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
Trimethyl-[2-(4-methylphenyl)sulfinylethyl]silane
CID 23729825
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
1-(4-Methylbenzenesulfonyl)propan-2-ol
CID 11229637
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
2-[(4-Methylphenyl)sulfonylmethyl]oxirane
CID 14200076

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane (CID 12061432) is tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane is Cc1ccc([S@](=O)C[C@H](C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane?
The InChIKey is OXYHUTHXVIOYHN-IFXJQAMLSA-N. The full InChI is InChI=1S/C16H28O2SSi/c1-13-8-10-15(11-9-13)19(17)12-14(2)18-20(6,7)16(3,4)5/h8-11,14H,12H2,1-7H3/t14-,19+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane has a molecular weight of 312.55 g/mol, XLogP of 4.51, 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)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane is sourced from PubChem (CID 12061432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).