[1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane

C17H22OSSi — CID 66931463

IUPAC[1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane
SMILESCOc1ccc(C(=Cc2ccc(C)s2)[Si](C)(C)C)cc1
InChIInChI=1S/C17H22OSSi/c1-13-6-11-16(19-13)12-17(20(3,4)5)14-7-9-15(18-2)10-8-14/h6-12H,1-5H3
InChIKeyJLUYJMWCDUXYDK-UHFFFAOYSA-N
MW302.52 g/mol
LogP5.48
Rot. Bonds4

About [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane

[1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane (PubChem CID 66931463) has the molecular formula C17H22OSSi and a molecular weight of 302.52 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane
PubChem CID66931463
Molecular FormulaC17H22OSSi
Molecular Weight302.52 g/mol
Exact Mass302.12
IUPAC Name[1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane
SMILESCOc1ccc(C(=Cc2ccc(C)s2)[Si](C)(C)C)cc1
InChIInChI=1S/C17H22OSSi/c1-13-6-11-16(19-13)12-17(20(3,4)5)14-7-9-15(18-2)10-8-14/h6-12H,1-5H3
InChIKeyJLUYJMWCDUXYDK-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.52
LogP ≤ 55.48
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 [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane?
The IUPAC name of [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane (CID 66931463) is [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane?
The canonical SMILES for [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane is COc1ccc(C(=Cc2ccc(C)s2)[Si](C)(C)C)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane?
The InChIKey is JLUYJMWCDUXYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OSSi/c1-13-6-11-16(19-13)12-17(20(3,4)5)14-7-9-15(18-2)10-8-14/h6-12H,1-5H3.
What are the key properties of [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane?
[1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane has a molecular weight of 302.52 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2-(5-methylthiophen-2-yl)ethenyl]-trimethylsilane is sourced from PubChem (CID 66931463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).