methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate

C14H24O4SSi — CID 156745095

IUPACmethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate
SMILESCOC(=O)c1csc(CO[Si](C)(C)C(C)(C)C)c1OC
InChIInChI=1S/C14H24O4SSi/c1-14(2,3)20(6,7)18-8-11-12(16-4)10(9-19-11)13(15)17-5/h9H,8H2,1-7H3
InChIKeyZACHWXIQLYTCJN-UHFFFAOYSA-N
MW316.50 g/mol
LogP4.07
Rot. Bonds5

About methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate

methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate (PubChem CID 156745095) has the molecular formula C14H24O4SSi and a molecular weight of 316.50 g/mol. Its IUPAC name is methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate
PubChem CID156745095
Molecular FormulaC14H24O4SSi
Molecular Weight316.50 g/mol
Exact Mass316.12
IUPAC Namemethyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate
SMILESCOC(=O)c1csc(CO[Si](C)(C)C(C)(C)C)c1OC
InChIInChI=1S/C14H24O4SSi/c1-14(2,3)20(6,7)18-8-11-12(16-4)10(9-19-11)13(15)17-5/h9H,8H2,1-7H3
InChIKeyZACHWXIQLYTCJN-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazole-4-carboxylate
CID 168861760
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703
methyl 2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-iodo-3,4,5-trimethoxybenzoyl)oxy-2-methoxyphenoxy]-3,4,5-trimethoxybenzoate
CID 45257693
methyl (4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethylcyclopentene-1-carboxylate
CID 102010141
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
CID 139036162
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
CID 11001374
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-methoxybenzoate
CID 18464864
methyl 4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbenzoate
CID 167729628

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate?
The IUPAC name of methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate (CID 156745095) is methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate?
The canonical SMILES for methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate is COC(=O)c1csc(CO[Si](C)(C)C(C)(C)C)c1OC.
What is the InChIKey of methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate?
The InChIKey is ZACHWXIQLYTCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4SSi/c1-14(2,3)20(6,7)18-8-11-12(16-4)10(9-19-11)13(15)17-5/h9H,8H2,1-7H3.
What are the key properties of methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate?
methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate has a molecular weight of 316.50 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxythiophene-3-carboxylate is sourced from PubChem (CID 156745095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).