dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate

C11H19N3O4Si — CID 71279141

IUPACdimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate
SMILESCOC(=O)c1nnn(C(C)[Si](C)(C)C)c1C(=O)OC
InChIInChI=1S/C11H19N3O4Si/c1-7(19(4,5)6)14-9(11(16)18-3)8(12-13-14)10(15)17-2/h7H,1-6H3
InChIKeyYFKDZDLZRZEMQT-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.29
Rot. Bonds4

About dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate

dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate (PubChem CID 71279141) has the molecular formula C11H19N3O4Si and a molecular weight of 285.38 g/mol. Its IUPAC name is dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate
PubChem CID71279141
Molecular FormulaC11H19N3O4Si
Molecular Weight285.38 g/mol
Exact Mass285.11
IUPAC Namedimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate
SMILESCOC(=O)c1nnn(C(C)[Si](C)(C)C)c1C(=O)OC
InChIInChI=1S/C11H19N3O4Si/c1-7(19(4,5)6)14-9(11(16)18-3)8(12-13-14)10(15)17-2/h7H,1-6H3
InChIKeyYFKDZDLZRZEMQT-UHFFFAOYSA-N
XLogP1.29
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl 1-(2-ethoxy-2-oxo-ethyl)triazole-4,5-dicarboxylate
CID 13327637
Diethyl 1-(2-methoxy-2-oxo-ethyl)triazole-4,5-dicarboxylate
CID 57391488
Diethyl 1-(2-ethoxy-2-oxo-ethyl)triazole-4,5-dicarboxylate
CID 57393251
Dimethyl 1-(2-methoxy-2-oxo-ethyl)triazole-4,5-dicarboxylate
CID 57399596
Dimethyl 1-methyl-1H-1,2,3-triazole-4,5-dicarboxylate
CID 12574370
Diethyl 1-(4-ethoxy-4-oxobutyl)triazole-4,5-dicarboxylate
CID 386528
Diethyl 1-(4-hydroxybutyl)triazole-4,5-dicarboxylate
CID 386529
Ethyl 3-(2-methoxyethyl)-5-(trifluoromethyl)triazole-4-carboxylate
CID 67022996
Ethyl 3-ethyl-5-(trifluoromethyl)triazole-4-carboxylate
CID 67023016
Ethyl 1-(2-ethoxy-2-oxo-ethyl)-5-(trifluoromethyl)triazole-4-carboxylate
CID 91926415
Ethyl 3-(2-ethoxy-2-oxoethyl)-5-(trifluoromethyl)triazole-4-carboxylate
CID 165140559
Dimethyl 1-(diethoxyphosphorylmethyl)triazole-4,5-dicarboxylate
CID 10958596

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate (CID 71279141) is dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate is COC(=O)c1nnn(C(C)[Si](C)(C)C)c1C(=O)OC.
What is the InChIKey of dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate?
The InChIKey is YFKDZDLZRZEMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4Si/c1-7(19(4,5)6)14-9(11(16)18-3)8(12-13-14)10(15)17-2/h7H,1-6H3.
What are the key properties of dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate?
dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate has a molecular weight of 285.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(1-trimethylsilylethyl)triazole-4,5-dicarboxylate is sourced from PubChem (CID 71279141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).