tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane

C23H34O2SSi — CID 135029835

IUPACtert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane
SMILESCOc1ccc(C(CCCO[Si](C)(C)C(C)(C)C)Sc2ccccc2)cc1
InChIInChI=1S/C23H34O2SSi/c1-23(2,3)27(5,6)25-18-10-13-22(26-21-11-8-7-9-12-21)19-14-16-20(24-4)17-15-19/h7-9,11-12,14-17,22H,10,13,18H2,1-6H3
InChIKeyREWLYGYSAGOZJR-UHFFFAOYSA-N
MW402.68 g/mol
LogP7.33
Rot. Bonds9

About tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane

tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane (PubChem CID 135029835) has the molecular formula C23H34O2SSi and a molecular weight of 402.68 g/mol. Its IUPAC name is tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane
PubChem CID135029835
Molecular FormulaC23H34O2SSi
Molecular Weight402.68 g/mol
Exact Mass402.20
IUPAC Nametert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane
SMILESCOc1ccc(C(CCCO[Si](C)(C)C(C)(C)C)Sc2ccccc2)cc1
InChIInChI=1S/C23H34O2SSi/c1-23(2,3)27(5,6)25-18-10-13-22(26-21-11-8-7-9-12-21)19-14-16-20(24-4)17-15-19/h7-9,11-12,14-17,22H,10,13,18H2,1-6H3
InChIKeyREWLYGYSAGOZJR-UHFFFAOYSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 162623282
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tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
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O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
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CID 3045430
tert-butyl-[(4R)-7-(4-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptoxy]-dimethylsilane
CID 154585596
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
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N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
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tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
tert-butyl-[3-(2-chlorophenyl)sulfanylpropoxy]-dimethylsilane
CID 141310434
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane (CID 135029835) is tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane is COc1ccc(C(CCCO[Si](C)(C)C(C)(C)C)Sc2ccccc2)cc1.
What is the InChIKey of tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane?
The InChIKey is REWLYGYSAGOZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2SSi/c1-23(2,3)27(5,6)25-18-10-13-22(26-21-11-8-7-9-12-21)19-14-16-20(24-4)17-15-19/h7-9,11-12,14-17,22H,10,13,18H2,1-6H3.
What are the key properties of tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane?
tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane has a molecular weight of 402.68 g/mol, XLogP of 7.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane is sourced from PubChem (CID 135029835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).