trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane

C19H22SSi — CID 164685334

IUPACtrimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane
SMILESCSc1ccc(C(=C=Cc2ccccc2)[Si](C)(C)C)cc1
InChIInChI=1S/C19H22SSi/c1-20-18-13-11-17(12-14-18)19(21(2,3)4)15-10-16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyJVDMKTGAQOKNMX-UHFFFAOYSA-N
MW310.54 g/mol
LogP5.98
Rot. Bonds4

About trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane

trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane (PubChem CID 164685334) has the molecular formula C19H22SSi and a molecular weight of 310.54 g/mol. Its IUPAC name is trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane.

Molecular Properties

Compound Nametrimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane
PubChem CID164685334
Molecular FormulaC19H22SSi
Molecular Weight310.54 g/mol
Exact Mass310.12
IUPAC Nametrimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane
SMILESCSc1ccc(C(=C=Cc2ccccc2)[Si](C)(C)C)cc1
InChIInChI=1S/C19H22SSi/c1-20-18-13-11-17(12-14-18)19(21(2,3)4)15-10-16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyJVDMKTGAQOKNMX-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.54
LogP ≤ 55.98
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-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane?
The IUPAC name of trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane (CID 164685334) is trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane.
What is the SMILES notation for trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane?
The canonical SMILES for trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane is CSc1ccc(C(=C=Cc2ccccc2)[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane?
The InChIKey is JVDMKTGAQOKNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22SSi/c1-20-18-13-11-17(12-14-18)19(21(2,3)4)15-10-16-8-6-5-7-9-16/h5-14H,1-4H3.
What are the key properties of trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane?
trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane has a molecular weight of 310.54 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(4-methylsulfanylphenyl)-3-phenylpropa-1,2-dienyl]silane is sourced from PubChem (CID 164685334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).