trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane

C13H17F3OSi — CID 11448725

IUPACtrimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
SMILESC[Si](C)(C)OC(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H17F3OSi/c1-18(2,3)17-12(13(14,15)16)10-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b10-9+
InChIKeyKSDAUMCFDAWBKO-MDZDMXLPSA-N
MW274.36 g/mol
LogP4.48
Rot. Bonds4

About trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane

trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane (PubChem CID 11448725) has the molecular formula C13H17F3OSi and a molecular weight of 274.36 g/mol. Its IUPAC name is trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
PubChem CID11448725
Molecular FormulaC13H17F3OSi
Molecular Weight274.36 g/mol
Exact Mass274.10
IUPAC Nametrimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
SMILESC[Si](C)(C)OC(/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H17F3OSi/c1-18(2,3)17-12(13(14,15)16)10-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b10-9+
InChIKeyKSDAUMCFDAWBKO-MDZDMXLPSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane?
The IUPAC name of trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane (CID 11448725) is trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane is C[Si](C)(C)OC(/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane?
The InChIKey is KSDAUMCFDAWBKO-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H17F3OSi/c1-18(2,3)17-12(13(14,15)16)10-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b10-9+.
What are the key properties of trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane?
trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane has a molecular weight of 274.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane is sourced from PubChem (CID 11448725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).