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

C35H60F6N4O7Si2 — CID 157071828

IUPAC2-[[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
SMILESC1CCOC1.COC1(c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)CCOCC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1
InChIInChI=1S/C16H27F3N2O3Si.C15H25F3N2O3Si.C4H8O/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;1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14;1-2-4-5-3-1/h11H,5-10,12H2,1-4H3;10,21H,4-9,11H2,1-3H3;1-4H2
InChIKeyACNDJKODUDPCOP-UHFFFAOYSA-N
MW819.05 g/mol
LogP7.88
Rot. Bonds13

About 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

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 (PubChem CID 157071828) has the molecular formula C35H60F6N4O7Si2 and a molecular weight of 819.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID157071828
Molecular FormulaC35H60F6N4O7Si2
Molecular Weight819.05 g/mol
Exact Mass818.39
IUPAC Name2-[[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
SMILESC1CCOC1.COC1(c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)CCOCC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1
InChIInChI=1S/C16H27F3N2O3Si.C15H25F3N2O3Si.C4H8O/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;1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14;1-2-4-5-3-1/h11H,5-10,12H2,1-4H3;10,21H,4-9,11H2,1-3H3;1-4H2
InChIKeyACNDJKODUDPCOP-UHFFFAOYSA-N
XLogP7.88
TPSA111.25 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500819.05
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 22018765
2-[[2-(5-ethylpyrimidin-2-yl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162566497
[3-nitro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]methanol
CID 169086392
2-[[2-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 71240810
1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid;methyl 1-[[5-[3-chloro-4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate
CID 162187776
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
6-chloro-N-(oxetan-3-yl)-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698271
4-(4-methoxyphenyl)oxepan-4-ol
CID 65079083
2-[[4-(4,4-difluorocyclohexen-1-yl)-2-methoxyimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156708357
1-[3,5-difluoro-4-[3-[1-(trifluoromethyl)cyclobutyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-4-[4-(hydroxymethyl)oxan-4-yl]butane-2-thione
CID 163836720
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 171770081
2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175083132

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOC1.COC1(c2nc(C(F)(F)F)cn2COCC[Si](C)(C)C)CCOCC1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1.
What is the InChIKey of 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?
The InChIKey is ACNDJKODUDPCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O3Si.C15H25F3N2O3Si.C4H8O/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;1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14;1-2-4-5-3-1/h11H,5-10,12H2,1-4H3;10,21H,4-9,11H2,1-3H3;1-4H2.
What are the key properties of 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?
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 has a molecular weight of 819.05 g/mol, XLogP of 7.88, 13 rotatable bonds, 1 hydrogen bond donors, and 11 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;oxolane;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol is sourced from PubChem (CID 157071828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).