trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane

C12H18OSSi — CID 23245895

IUPACtrimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane
SMILESCc1ccc(S(=O)/C=C/[Si](C)(C)C)cc1
InChIInChI=1S/C12H18OSSi/c1-11-5-7-12(8-6-11)14(13)9-10-15(2,3)4/h5-10H,1-4H3/b10-9+
InChIKeyWUPCCVDJGWUWFS-MDZDMXLPSA-N
MW238.43 g/mol
LogP3.49
Rot. Bonds3

About trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane

trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane (PubChem CID 23245895) has the molecular formula C12H18OSSi and a molecular weight of 238.43 g/mol. Its IUPAC name is trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane
PubChem CID23245895
Molecular FormulaC12H18OSSi
Molecular Weight238.43 g/mol
Exact Mass238.08
IUPAC Nametrimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane
SMILESCc1ccc(S(=O)/C=C/[Si](C)(C)C)cc1
InChIInChI=1S/C12H18OSSi/c1-11-5-7-12(8-6-11)14(13)9-10-15(2,3)4/h5-10H,1-4H3/b10-9+
InChIKeyWUPCCVDJGWUWFS-MDZDMXLPSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.43
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane?
The IUPAC name of trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane (CID 23245895) is trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane.
What is the SMILES notation for trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane?
The canonical SMILES for trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane is Cc1ccc(S(=O)/C=C/[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane?
The InChIKey is WUPCCVDJGWUWFS-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H18OSSi/c1-11-5-7-12(8-6-11)14(13)9-10-15(2,3)4/h5-10H,1-4H3/b10-9+.
What are the key properties of trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane?
trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane has a molecular weight of 238.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-(4-methylphenyl)sulfinylethenyl]silane is sourced from PubChem (CID 23245895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).