dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane

C18H22O2SSi — CID 135060741

IUPACdimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane
SMILESC=C(CS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H22O2SSi/c1-15-10-12-17(13-11-15)21(19,20)14-16(2)22(3,4)18-8-6-5-7-9-18/h5-13H,2,14H2,1,3-4H3
InChIKeyIOWUXFJDORSRLR-UHFFFAOYSA-N
MW330.53 g/mol
LogP3.48
Rot. Bonds5

About dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane

dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane (PubChem CID 135060741) has the molecular formula C18H22O2SSi and a molecular weight of 330.53 g/mol. Its IUPAC name is dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane
PubChem CID135060741
Molecular FormulaC18H22O2SSi
Molecular Weight330.53 g/mol
Exact Mass330.11
IUPAC Namedimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane
SMILESC=C(CS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H22O2SSi/c1-15-10-12-17(13-11-15)21(19,20)14-16(2)22(3,4)18-8-6-5-7-9-18/h5-13H,2,14H2,1,3-4H3
InChIKeyIOWUXFJDORSRLR-UHFFFAOYSA-N
XLogP3.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.53
LogP ≤ 53.48
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 dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane?
The IUPAC name of dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane (CID 135060741) is dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane?
The canonical SMILES for dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane is C=C(CS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane?
The InChIKey is IOWUXFJDORSRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2SSi/c1-15-10-12-17(13-11-15)21(19,20)14-16(2)22(3,4)18-8-6-5-7-9-18/h5-13H,2,14H2,1,3-4H3.
What are the key properties of dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane?
dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane has a molecular weight of 330.53 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(4-methylphenyl)sulfonylprop-1-en-2-yl]-phenylsilane is sourced from PubChem (CID 135060741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).