tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane

C21H34O4SSi — CID 154711724

IUPACtert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C21H34O4SSi/c1-16-9-11-17(12-10-16)26(22,23)19-15-21(5,6)25-18(19)13-14-24-27(7,8)20(2,3)4/h9-12,15,18H,13-14H2,1-8H3
InChIKeyRPQYIYTVQNAARY-UHFFFAOYSA-N
MW410.65 g/mol
LogP5.24
Rot. Bonds6

About tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane (PubChem CID 154711724) has the molecular formula C21H34O4SSi and a molecular weight of 410.65 g/mol. Its IUPAC name is tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane
PubChem CID154711724
Molecular FormulaC21H34O4SSi
Molecular Weight410.65 g/mol
Exact Mass410.19
IUPAC Nametert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane
SMILESCc1ccc(S(=O)(=O)C2=CC(C)(C)OC2CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C21H34O4SSi/c1-16-9-11-17(12-10-16)26(22,23)19-15-21(5,6)25-18(19)13-14-24-27(7,8)20(2,3)4/h9-12,15,18H,13-14H2,1-8H3
InChIKeyRPQYIYTVQNAARY-UHFFFAOYSA-N
XLogP5.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[4-(3,4-dihydro-2H-pyran-6-yl)-4-(4-methylphenyl)sulfonylbutoxy]-dimethylsilane
CID 11418855
4-[Tert-butyl(dimethyl)silyl]oxybutan-2-yl 4-methylbenzenesulfonate
CID 15760345
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
[(3S)-3-triethylsilyloxybutyl] 4-methylbenzenesulfonate
CID 49856734
2-(1-Tosylvinyl)tetrahydrofuran
CID 10514974
[(1S,2S,3R,7S)-6-(benzenesulfonyl)-2-methyl-8-oxabicyclo[5.1.0]oct-5-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11589291
tert-butyl-dimethyl-[(E,2S)-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbut-3-en-2-yl]oxysilane
CID 14133375
3-(4-Methylphenyl)sulfonyl-2-propan-2-yl-2,5-dihydrofuran
CID 14296297
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(4-methylphenyl)sulfinylpent-2-enoate
CID 16721323
tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane
CID 101161741
2-[(2S,6R)-2-[(2R)-3-(benzenesulfonyl)-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]ethoxy-tert-butyl-dimethylsilane
CID 102127109
[(1S,2R,3R,7S)-6-(benzenesulfonyl)-2-methyl-8-oxabicyclo[5.1.0]oct-5-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102254191

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane (CID 154711724) is tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane is Cc1ccc(S(=O)(=O)C2=CC(C)(C)OC2CCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane?
The InChIKey is RPQYIYTVQNAARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4SSi/c1-16-9-11-17(12-10-16)26(22,23)19-15-21(5,6)25-18(19)13-14-24-27(7,8)20(2,3)4/h9-12,15,18H,13-14H2,1-8H3.
What are the key properties of tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane has a molecular weight of 410.65 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[5,5-dimethyl-3-(4-methylphenyl)sulfonyl-2H-furan-2-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 154711724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).