trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane

C15H22O2SSi — CID 11098420

IUPACtrimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane
SMILESCC(C)=C=C([Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22O2SSi/c1-12(2)11-15(19(4,5)6)18(16,17)14-9-7-13(3)8-10-14/h7-10H,1-6H3
InChIKeyLTSOJPHEGJOUNI-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.10
Rot. Bonds3

About trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane

trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane (PubChem CID 11098420) has the molecular formula C15H22O2SSi and a molecular weight of 294.49 g/mol. Its IUPAC name is trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane
PubChem CID11098420
Molecular FormulaC15H22O2SSi
Molecular Weight294.49 g/mol
Exact Mass294.11
IUPAC Nametrimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane
SMILESCC(C)=C=C([Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22O2SSi/c1-12(2)11-15(19(4,5)6)18(16,17)14-9-7-13(3)8-10-14/h7-10H,1-6H3
InChIKeyLTSOJPHEGJOUNI-UHFFFAOYSA-N
XLogP4.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane?
The IUPAC name of trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane (CID 11098420) is trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane.
What is the SMILES notation for trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane?
The canonical SMILES for trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane is CC(C)=C=C([Si](C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane?
The InChIKey is LTSOJPHEGJOUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2SSi/c1-12(2)11-15(19(4,5)6)18(16,17)14-9-7-13(3)8-10-14/h7-10H,1-6H3.
What are the key properties of trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane?
trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane has a molecular weight of 294.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-methyl-1-(4-methylphenyl)sulfonylbuta-1,2-dienyl]silane is sourced from PubChem (CID 11098420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).