trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

C15H23F3N2OSi — CID 123246513

IUPACtrimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC=C(C=CC)c1nc(C(F)(F)F)cn1COCC[Si](C)(C)C
InChIInChI=1S/C15H23F3N2OSi/c1-6-7-12(2)14-19-13(15(16,17)18)10-20(14)11-21-8-9-22(3,4)5/h6-7,10H,2,8-9,11H2,1,3-5H3
InChIKeyZEMSLMXCTJSCCP-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.80
Rot. Bonds7

About trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 123246513) has the molecular formula C15H23F3N2OSi and a molecular weight of 332.44 g/mol. Its IUPAC name is trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
PubChem CID123246513
Molecular FormulaC15H23F3N2OSi
Molecular Weight332.44 g/mol
Exact Mass332.15
IUPAC Nametrimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane
SMILESC=C(C=CC)c1nc(C(F)(F)F)cn1COCC[Si](C)(C)C
InChIInChI=1S/C15H23F3N2OSi/c1-6-7-12(2)14-19-13(15(16,17)18)10-20(14)11-21-8-9-22(3,4)5/h6-7,10H,2,8-9,11H2,1,3-5H3
InChIKeyZEMSLMXCTJSCCP-UHFFFAOYSA-N
XLogP4.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane (CID 123246513) is trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is C=C(C=CC)c1nc(C(F)(F)F)cn1COCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is ZEMSLMXCTJSCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2OSi/c1-6-7-12(2)14-19-13(15(16,17)18)10-20(14)11-21-8-9-22(3,4)5/h6-7,10H,2,8-9,11H2,1,3-5H3.
What are the key properties of trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 332.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[2-penta-1,3-dien-2-yl-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 123246513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).