methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate

C15H18O2SSi — CID 46180144

IUPACmethyl 4-(5-trimethylsilylthiophen-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc([Si](C)(C)C)s2)cc1
InChIInChI=1S/C15H18O2SSi/c1-17-15(16)12-7-5-11(6-8-12)13-9-10-14(18-13)19(2,3)4/h5-10H,1-4H3
InChIKeyWBMPGLWAWPBHFW-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.75
Rot. Bonds3

About methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate

methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate (PubChem CID 46180144) has the molecular formula C15H18O2SSi and a molecular weight of 290.46 g/mol. Its IUPAC name is methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-trimethylsilylthiophen-2-yl)benzoate
PubChem CID46180144
Molecular FormulaC15H18O2SSi
Molecular Weight290.46 g/mol
Exact Mass290.08
IUPAC Namemethyl 4-(5-trimethylsilylthiophen-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc([Si](C)(C)C)s2)cc1
InChIInChI=1S/C15H18O2SSi/c1-17-15(16)12-7-5-11(6-8-12)13-9-10-14(18-13)19(2,3)4/h5-10H,1-4H3
InChIKeyWBMPGLWAWPBHFW-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[5-(hydroxymethyl)thiophen-2-yl]benzoate
CID 66742298
[5-(4-methoxyphenyl)thiophen-2-yl]-trimethylsilane
CID 135013894
methyl 4-(5-chlorosulfonylthiophen-2-yl)benzoate
CID 22998471
methyl 4-[5-(4-methoxycarbonylphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 131710035
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-(3-methyl-1,2-thiazol-5-yl)benzoate
CID 75175939
methyl 6-[5-(4-methoxyphenyl)thiophen-2-yl]naphthalene-2-carboxylate
CID 69360767
methyl 4-[5-(aminomethyl)-1,3-thiazol-2-yl]benzoate
CID 126697356
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403
methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate
CID 18613894

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate?
The IUPAC name of methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate (CID 46180144) is methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate.
What is the SMILES notation for methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate?
The canonical SMILES for methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate is COC(=O)c1ccc(-c2ccc([Si](C)(C)C)s2)cc1.
What is the InChIKey of methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate?
The InChIKey is WBMPGLWAWPBHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2SSi/c1-17-15(16)12-7-5-11(6-8-12)13-9-10-14(18-13)19(2,3)4/h5-10H,1-4H3.
What are the key properties of methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate?
methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate has a molecular weight of 290.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-trimethylsilylthiophen-2-yl)benzoate is sourced from PubChem (CID 46180144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).