ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

C14H24N2O4Si — CID 166074597

IUPACethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(C=O)n1COCC[Si](C)(C)C
InChIInChI=1S/C14H24N2O4Si/c1-6-20-14(18)13-11(2)15-12(9-17)16(13)10-19-7-8-21(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyKVHRBQQIQPJQBI-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.49
Rot. Bonds8

About ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate

ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (PubChem CID 166074597) has the molecular formula C14H24N2O4Si and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
PubChem CID166074597
Molecular FormulaC14H24N2O4Si
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Nameethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(C=O)n1COCC[Si](C)(C)C
InChIInChI=1S/C14H24N2O4Si/c1-6-20-14(18)13-11(2)15-12(9-17)16(13)10-19-7-8-21(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyKVHRBQQIQPJQBI-UHFFFAOYSA-N
XLogP2.49
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-formyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazole-4-carboxylate
CID 166074623
4-methyl-5-phenyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018699
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
tert-butyl 4-[5-ethoxycarbonyl-4-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-3-oxopiperazine-1-carboxylate
CID 171550480
ethyl 5-formyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
CID 90036511
ethyl 3-(ethoxymethyl)-5-formyl-2-methylimidazole-4-carboxylate
CID 101025527
ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 166094894
ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 166476125
ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 22387741
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 171623271

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate (CID 166074597) is ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is CCOC(=O)c1c(C)nc(C=O)n1COCC[Si](C)(C)C.
What is the InChIKey of ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
The InChIKey is KVHRBQQIQPJQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4Si/c1-6-20-14(18)13-11(2)15-12(9-17)16(13)10-19-7-8-21(3,4)5/h9H,6-8,10H2,1-5H3.
What are the key properties of ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate?
ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate is sourced from PubChem (CID 166074597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).