dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane

C17H20OSSi — CID 138974586

IUPACdimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane
SMILESCc1ccc([S@](=O)/C=C/[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C17H20OSSi/c1-15-9-11-16(12-10-15)19(18)13-14-20(2,3)17-7-5-4-6-8-17/h4-14H,1-3H3/b14-13+/t19-/m1/s1
InChIKeyCESGQALRVLFEIE-JKIKYLSZSA-N
MW300.50 g/mol
LogP3.77
Rot. Bonds4

About dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane

dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane (PubChem CID 138974586) has the molecular formula C17H20OSSi and a molecular weight of 300.50 g/mol. Its IUPAC name is dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane
PubChem CID138974586
Molecular FormulaC17H20OSSi
Molecular Weight300.50 g/mol
Exact Mass300.10
IUPAC Namedimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane
SMILESCc1ccc([S@](=O)/C=C/[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C17H20OSSi/c1-15-9-11-16(12-10-15)19(18)13-14-20(2,3)17-7-5-4-6-8-17/h4-14H,1-3H3/b14-13+/t19-/m1/s1
InChIKeyCESGQALRVLFEIE-JKIKYLSZSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.50
LogP ≤ 53.77
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 dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane?
The IUPAC name of dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane (CID 138974586) is dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane.
What is the SMILES notation for dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane?
The canonical SMILES for dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane is Cc1ccc([S@](=O)/C=C/[Si](C)(C)c2ccccc2)cc1.
What is the InChIKey of dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane?
The InChIKey is CESGQALRVLFEIE-JKIKYLSZSA-N. The full InChI is InChI=1S/C17H20OSSi/c1-15-9-11-16(12-10-15)19(18)13-14-20(2,3)17-7-5-4-6-8-17/h4-14H,1-3H3/b14-13+/t19-/m1/s1.
What are the key properties of dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane?
dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane has a molecular weight of 300.50 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E)-2-[(R)-(4-methylphenyl)sulfinyl]ethenyl]-phenylsilane is sourced from PubChem (CID 138974586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).