tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane

C17H26O3SSi — CID 11221450

IUPACtert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane
SMILESCc1ccc(S(=O)(=O)C2=C([Si](C)(C)C(C)(C)C)OCC2)cc1
InChIInChI=1S/C17H26O3SSi/c1-13-7-9-14(10-8-13)21(18,19)15-11-12-20-16(15)22(5,6)17(2,3)4/h7-10H,11-12H2,1-6H3
InChIKeyLTQGHFICMAODGK-UHFFFAOYSA-N
MW338.55 g/mol
LogP4.45
Rot. Bonds3

About tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane

tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane (PubChem CID 11221450) has the molecular formula C17H26O3SSi and a molecular weight of 338.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane
PubChem CID11221450
Molecular FormulaC17H26O3SSi
Molecular Weight338.55 g/mol
Exact Mass338.14
IUPAC Nametert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane
SMILESCc1ccc(S(=O)(=O)C2=C([Si](C)(C)C(C)(C)C)OCC2)cc1
InChIInChI=1S/C17H26O3SSi/c1-13-7-9-14(10-8-13)21(18,19)15-11-12-20-16(15)22(5,6)17(2,3)4/h7-10H,11-12H2,1-6H3
InChIKeyLTQGHFICMAODGK-UHFFFAOYSA-N
XLogP4.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone
CID 5075769
[(E)-3-trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate
CID 357836
1-[(E)-3-ethoxy-1-fluoroprop-2-enyl]sulfonyl-4-methylbenzene
CID 101190135
1-[(Z)-3-ethoxy-1-fluoroprop-2-enyl]sulfonyl-4-methylbenzene
CID 101190136
1-methyl-4-[(E)-2-phenylselanyl-1-propoxyethenyl]sulfonylbenzene
CID 10916249
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
[(Z)-1-(benzenesulfonyl)-2-ethoxyethenyl]benzene
CID 15309666
1-(2-Methoxyethylsulfonyl)-4-methylbenzene
CID 59676191
tert-butyl-dimethyl-[(2S)-1-[(S)-(4-methylphenyl)sulfinyl]propan-2-yl]oxysilane
CID 10380832
6-[(4-methylphenyl)sulfonylmethyl]-3,4-dihydro-2H-pyran
CID 11043241
Silane, trimethyl[3-methyl-1-[(4-methylphenyl)sulfonyl]-1,2-butadienyl]-
CID 11098420

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane?
The IUPAC name of tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane (CID 11221450) is tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane is Cc1ccc(S(=O)(=O)C2=C([Si](C)(C)C(C)(C)C)OCC2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane?
The InChIKey is LTQGHFICMAODGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3SSi/c1-13-7-9-14(10-8-13)21(18,19)15-11-12-20-16(15)22(5,6)17(2,3)4/h7-10H,11-12H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane?
tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane has a molecular weight of 338.55 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-(4-methylphenyl)sulfonyl-2,3-dihydrofuran-5-yl]silane is sourced from PubChem (CID 11221450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).