2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

C16H27F3N2O3Si — CID 90030746

IUPAC2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOC1(c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)CCOCC1
InChIInChI=1S/C16H27F3N2O3Si/c1-22-15(5-7-23-8-6-15)14-20-13(16(17,18)19)11-21(14)12-24-9-10-25(2,3)4/h11H,5-10,12H2,1-4H3
InChIKeyZEVZOHCLDZYMMP-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.87
Rot. Bonds7

About 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90030746) has the molecular formula C16H27F3N2O3Si and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90030746
Molecular FormulaC16H27F3N2O3Si
Molecular Weight380.48 g/mol
Exact Mass380.17
IUPAC Name2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOC1(c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)CCOCC1
InChIInChI=1S/C16H27F3N2O3Si/c1-22-15(5-7-23-8-6-15)14-20-13(16(17,18)19)11-21(14)12-24-9-10-25(2,3)4/h11H,5-10,12H2,1-4H3
InChIKeyZEVZOHCLDZYMMP-UHFFFAOYSA-N
XLogP3.87
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methoxytetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 90029596
4-(4-(Trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)tetrahydro-2H-pyran-4-ol
CID 90066731
methyl 2-(tetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 118956042
[2-(4-Hydroxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite
CID 138716787
[2-(4-Methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl] thiohypofluorite
CID 145696030
2-[[2-(4-Methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;oxolane;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol
CID 157071828
[1-[4-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]piperidin-4-yl]methanol
CID 170707521
1-Methoxy-3-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pentan-3-ol
CID 173899180
4-[[3-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol
CID 128978662
4-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol
CID 129491413
4-[[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol
CID 129491414
1-[(4-Methoxyoxan-4-yl)methyl]-5-methylimidazole
CID 116798978

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90030746) is 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is COC1(c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)CCOCC1.
What is the InChIKey of 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZEVZOHCLDZYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O3Si/c1-22-15(5-7-23-8-6-15)14-20-13(16(17,18)19)11-21(14)12-24-9-10-25(2,3)4/h11H,5-10,12H2,1-4H3.
What are the key properties of 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 380.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyoxan-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90030746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).