oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

C30H50F6N4O6Si2 — CID 159986213

IUPACoxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1.C[Si](C)(C)CCOCn1cnc(C(F)(F)F)c1.O=C1CCOCC1
InChIInChI=1S/C15H25F3N2O3Si.C10H17F3N2OSi.C5H8O2/c1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14;1-17(2,3)5-4-16-8-15-6-9(14-7-15)10(11,12)13;6-5-1-3-7-4-2-5/h10,21H,4-9,11H2,1-3H3;6-7H,4-5,8H2,1-3H3;1-4H2
InChIKeyOGJFLHAPHBZDNY-UHFFFAOYSA-N
MW732.91 g/mol
LogP6.79
Rot. Bonds11

About oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 159986213) has the molecular formula C30H50F6N4O6Si2 and a molecular weight of 732.91 g/mol. Its IUPAC name is oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nameoxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID159986213
Molecular FormulaC30H50F6N4O6Si2
Molecular Weight732.91 g/mol
Exact Mass732.32
IUPAC Nameoxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1.C[Si](C)(C)CCOCn1cnc(C(F)(F)F)c1.O=C1CCOCC1
InChIInChI=1S/C15H25F3N2O3Si.C10H17F3N2OSi.C5H8O2/c1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14;1-17(2,3)5-4-16-8-15-6-9(14-7-15)10(11,12)13;6-5-1-3-7-4-2-5/h10,21H,4-9,11H2,1-3H3;6-7H,4-5,8H2,1-3H3;1-4H2
InChIKeyOGJFLHAPHBZDNY-UHFFFAOYSA-N
XLogP6.79
TPSA109.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 159986213) is oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C1(O)CCOCC1.C[Si](C)(C)CCOCn1cnc(C(F)(F)F)c1.O=C1CCOCC1.
What is the InChIKey of oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is OGJFLHAPHBZDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3Si.C10H17F3N2OSi.C5H8O2/c1-24(2,3)9-8-23-11-20-10-12(15(16,17)18)19-13(20)14(21)4-6-22-7-5-14;1-17(2,3)5-4-16-8-15-6-9(14-7-15)10(11,12)13;6-5-1-3-7-4-2-5/h10,21H,4-9,11H2,1-3H3;6-7H,4-5,8H2,1-3H3;1-4H2.
What are the key properties of oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 732.91 g/mol, XLogP of 6.79, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-one;4-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]oxan-4-ol;trimethyl-[2-[[4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).