methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane

C22H22OSSi — CID 10948453

IUPACmethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane
SMILESCc1ccc([S@](=O)/C=C/[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22OSSi/c1-19-13-15-20(16-14-19)24(23)17-18-25(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18H,1-2H3/b18-17+/t24-/m1/s1
InChIKeyZBKYHWPXXNGPTR-IKPXGLPCSA-N
MW362.57 g/mol
LogP4.05
Rot. Bonds5

About methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane

methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane (PubChem CID 10948453) has the molecular formula C22H22OSSi and a molecular weight of 362.57 g/mol. Its IUPAC name is methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane.

Molecular Properties

Compound Namemethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane
PubChem CID10948453
Molecular FormulaC22H22OSSi
Molecular Weight362.57 g/mol
Exact Mass362.12
IUPAC Namemethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane
SMILESCc1ccc([S@](=O)/C=C/[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22OSSi/c1-19-13-15-20(16-14-19)24(23)17-18-25(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18H,1-2H3/b18-17+/t24-/m1/s1
InChIKeyZBKYHWPXXNGPTR-IKPXGLPCSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 54.05
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 methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane?
The IUPAC name of methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane (CID 10948453) is methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane.
What is the SMILES notation for methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane?
The canonical SMILES for methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane is Cc1ccc([S@](=O)/C=C/[Si](C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane?
The InChIKey is ZBKYHWPXXNGPTR-IKPXGLPCSA-N. The full InChI is InChI=1S/C22H22OSSi/c1-19-13-15-20(16-14-19)24(23)17-18-25(2,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18H,1-2H3/b18-17+/t24-/m1/s1.
What are the key properties of methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane?
methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane has a molecular weight of 362.57 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-diphenylsilane is sourced from PubChem (CID 10948453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).