tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane

C21H30O2SSi — CID 73112372

IUPACtert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane
SMILESCc1ccc(S(=O)CC(O[Si](C)(C)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C21H30O2SSi/c1-17-12-14-19(15-13-17)24(22)16-20(18-10-8-7-9-11-18)23-25(5,6)21(2,3)4/h7-15,20H,16H2,1-6H3
InChIKeyNEBYYFYQPJHIIE-UHFFFAOYSA-N
MW374.62 g/mol
LogP5.87
Rot. Bonds6

About tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane

tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane (PubChem CID 73112372) has the molecular formula C21H30O2SSi and a molecular weight of 374.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane
PubChem CID73112372
Molecular FormulaC21H30O2SSi
Molecular Weight374.62 g/mol
Exact Mass374.17
IUPAC Nametert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane
SMILESCc1ccc(S(=O)CC(O[Si](C)(C)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C21H30O2SSi/c1-17-12-14-19(15-13-17)24(22)16-20(18-10-8-7-9-11-18)23-25(5,6)21(2,3)4/h7-15,20H,16H2,1-6H3
InChIKeyNEBYYFYQPJHIIE-UHFFFAOYSA-N
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.62
LogP ≤ 55.87
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

[2,2-Difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
CID 132604593
1-(2-Tert-butylperoxy-2-phenylethyl)sulfonyl-4-fluorobenzene
CID 154711756
(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol
CID 14296283
(E)-2-(4-methylphenyl)sulfonyl-1-phenylpent-2-ene-1,4-diol
CID 14296288
(E)-3-methyl-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol
CID 14296292
[4-(Butylthio)phenyl](phenyl)methanol
CID 70791301
1-[(2S)-3,3-difluoro-2-phenylmethoxybutyl]sulfinyl-4-methylbenzene
CID 101624773
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
Trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane
CID 90402467
tert-butyl-[(Z)-2-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)but-2-enoxy]-dimethylsilane
CID 150999821
tert-butyl-[(E)-2-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)but-2-enoxy]-dimethylsilane
CID 173132149
Tert-butyl-[[4-[ditert-butyl(fluoro)-lambda4-sulfanyl]phenyl]methoxy]-dimethylsilane
CID 174039863

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane (CID 73112372) is tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane is Cc1ccc(S(=O)CC(O[Si](C)(C)C(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane?
The InChIKey is NEBYYFYQPJHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2SSi/c1-17-12-14-19(15-13-17)24(22)16-20(18-10-8-7-9-11-18)23-25(5,6)21(2,3)4/h7-15,20H,16H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane?
tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane has a molecular weight of 374.62 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(4-methylphenyl)sulfinyl-1-phenylethoxy]silane is sourced from PubChem (CID 73112372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).