methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate

C11H17NO5SSi — CID 59821263

IUPACmethyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate
SMILESCOC(=O)c1sc([N+](=O)[O-])cc1OCC[Si](C)(C)C
InChIInChI=1S/C11H17NO5SSi/c1-16-11(13)10-8(7-9(18-10)12(14)15)17-5-6-19(2,3)4/h7H,5-6H2,1-4H3
InChIKeyKGLOWSPMATWKTF-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.16
Rot. Bonds6

About methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate

methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate (PubChem CID 59821263) has the molecular formula C11H17NO5SSi and a molecular weight of 303.41 g/mol. Its IUPAC name is methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate
PubChem CID59821263
Molecular FormulaC11H17NO5SSi
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Namemethyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate
SMILESCOC(=O)c1sc([N+](=O)[O-])cc1OCC[Si](C)(C)C
InChIInChI=1S/C11H17NO5SSi/c1-16-11(13)10-8(7-9(18-10)12(14)15)17-5-6-19(2,3)4/h7H,5-6H2,1-4H3
InChIKeyKGLOWSPMATWKTF-UHFFFAOYSA-N
XLogP3.16
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-nitrothiophene-2,3-dicarboxylate
CID 154194749
methyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737610
methyl 3-(3-hydroxypropoxy)-5-methylthiophene-2-carboxylate
CID 75445322
methyl 3-nitro-4-(trimethylsilylmethoxy)benzoate
CID 56529289
2-(2-methoxycarbonyl-5-methylthiophen-3-yl)oxyacetic acid
CID 167841977
methyl 5-nitro-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 166058271
N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide
CID 41442761
methyl 3-[2-(dimethylamino)ethoxy]-4-nitrobenzoate
CID 113223309
methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate
CID 164536613
methyl 3-nitro-5-propan-2-ylthiophene-2-carboxylate
CID 58679402
ethyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737608
methyl 2-morpholin-4-yl-5-nitrothiophene-3-carboxylate
CID 11022019

Frequently Asked Questions

What is the IUPAC name of methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate?
The IUPAC name of methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate (CID 59821263) is methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate is COC(=O)c1sc([N+](=O)[O-])cc1OCC[Si](C)(C)C.
What is the InChIKey of methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate?
The InChIKey is KGLOWSPMATWKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5SSi/c1-16-11(13)10-8(7-9(18-10)12(14)15)17-5-6-19(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate?
methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate has a molecular weight of 303.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-nitro-3-(2-trimethylsilylethoxy)thiophene-2-carboxylate is sourced from PubChem (CID 59821263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).