methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate

C15H28N2O4Si — CID 166457077

IUPACmethyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cn(CCOCCO[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C15H28N2O4Si/c1-15(2,3)22(5,6)21-10-9-20-8-7-17-11-13(16-12-17)14(18)19-4/h11-12H,7-10H2,1-6H3
InChIKeyCXAXEYRQHNPUQX-UHFFFAOYSA-N
MW328.49 g/mol
LogP2.71
Rot. Bonds8

About methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate

methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate (PubChem CID 166457077) has the molecular formula C15H28N2O4Si and a molecular weight of 328.49 g/mol. Its IUPAC name is methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate
PubChem CID166457077
Molecular FormulaC15H28N2O4Si
Molecular Weight328.49 g/mol
Exact Mass328.18
IUPAC Namemethyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cn(CCOCCO[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C15H28N2O4Si/c1-15(2,3)22(5,6)21-10-9-20-8-7-17-11-13(16-12-17)14(18)19-4/h11-12H,7-10H2,1-6H3
InChIKeyCXAXEYRQHNPUQX-UHFFFAOYSA-N
XLogP2.71
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate (CID 166457077) is methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate is COC(=O)c1cn(CCOCCO[Si](C)(C)C(C)(C)C)cn1.
What is the InChIKey of methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate?
The InChIKey is CXAXEYRQHNPUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4Si/c1-15(2,3)22(5,6)21-10-9-20-8-7-17-11-13(16-12-17)14(18)19-4/h11-12H,7-10H2,1-6H3.
What are the key properties of methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate?
methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate has a molecular weight of 328.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 166457077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).