trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane

C20H24O2SSi — CID 10893658

IUPACtrimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane
SMILESCC(=C=C([Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H24O2SSi/c1-16-11-13-19(14-12-16)23(21,22)20(24(3,4)5)15-17(2)18-9-7-6-8-10-18/h6-14H,1-5H3
InChIKeyHKHWYHOHDXVHLB-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.23
Rot. Bonds4

About trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane

trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane (PubChem CID 10893658) has the molecular formula C20H24O2SSi and a molecular weight of 356.56 g/mol. Its IUPAC name is trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane.

Molecular Properties

Compound Nametrimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane
PubChem CID10893658
Molecular FormulaC20H24O2SSi
Molecular Weight356.56 g/mol
Exact Mass356.13
IUPAC Nametrimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane
SMILESCC(=C=C([Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H24O2SSi/c1-16-11-13-19(14-12-16)23(21,22)20(24(3,4)5)15-17(2)18-9-7-6-8-10-18/h6-14H,1-5H3
InChIKeyHKHWYHOHDXVHLB-UHFFFAOYSA-N
XLogP5.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.23
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

SC-57666
CID 443373
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
p-Tolyl methyl sulfone
CID 18521
1,3,5-Trimethyl-2-(4-methylphenyl)sulfonylbenzene
CID 272513
((3-Phenylpropyl)sulfonyl)benzene
CID 97180
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
Ditosylmethane
CID 275690
Di-2,4-xylyl sulfone
CID 78859
1-Methyl-4-[2-(4-methylphenyl)sulfonylethenylsulfonyl]benzene
CID 284471
1,1'-(1,1-Cyclopentanediyldisulfonyl)bis(4-methylbenzene)
CID 1380164

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane?
The IUPAC name of trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane (CID 10893658) is trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane.
What is the SMILES notation for trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane?
The canonical SMILES for trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane is CC(=C=C([Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane?
The InChIKey is HKHWYHOHDXVHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2SSi/c1-16-11-13-19(14-12-16)23(21,22)20(24(3,4)5)15-17(2)18-9-7-6-8-10-18/h6-14H,1-5H3.
What are the key properties of trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane?
trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane has a molecular weight of 356.56 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(4-methylphenyl)sulfonyl-3-phenylbuta-1,2-dienyl]silane is sourced from PubChem (CID 10893658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).