trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane

C13H20O2SSi — CID 11076455

IUPACtrimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane
SMILESCc1ccc(S(=O)(=O)/C=C/C[Si](C)(C)C)cc1
InChIInChI=1S/C13H20O2SSi/c1-12-6-8-13(9-7-12)16(14,15)10-5-11-17(2,3)4/h5-10H,11H2,1-4H3/b10-5+
InChIKeyFRTIILASNZKFNA-BJMVGYQFSA-N
MW268.45 g/mol
LogP3.62
Rot. Bonds4

About trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane

trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane (PubChem CID 11076455) has the molecular formula C13H20O2SSi and a molecular weight of 268.45 g/mol. Its IUPAC name is trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane
PubChem CID11076455
Molecular FormulaC13H20O2SSi
Molecular Weight268.45 g/mol
Exact Mass268.10
IUPAC Nametrimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane
SMILESCc1ccc(S(=O)(=O)/C=C/C[Si](C)(C)C)cc1
InChIInChI=1S/C13H20O2SSi/c1-12-6-8-13(9-7-12)16(14,15)10-5-11-17(2,3)4/h5-10H,11H2,1-4H3/b10-5+
InChIKeyFRTIILASNZKFNA-BJMVGYQFSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diiodomethyl p-tolyl sulfone
CID 62738
(2E)-3-(4-methylbenzenesulfonyl)prop-2-enenitrile
CID 5353431
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
alpha-(Methylsulphonyl)toluene
CID 76562
Sulfone, allyl p-tolyl
CID 96276
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
Phenyl trans-Styryl Sulfone
CID 736143
1-Tert-butyl-4-(ethenesulfonyl)benzene
CID 879322
p-Tolyl methyl sulfone
CID 18521
Tosylacetonitrile
CID 79776

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane?
The IUPAC name of trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane (CID 11076455) is trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane?
The canonical SMILES for trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane is Cc1ccc(S(=O)(=O)/C=C/C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane?
The InChIKey is FRTIILASNZKFNA-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H20O2SSi/c1-12-6-8-13(9-7-12)16(14,15)10-5-11-17(2,3)4/h5-10H,11H2,1-4H3/b10-5+.
What are the key properties of trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane?
trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane has a molecular weight of 268.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]silane is sourced from PubChem (CID 11076455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).