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

C14H19F3OSi — CID 24997841

IUPACtrimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane
SMILESCC(/C=C/c1ccccc1)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C14H19F3OSi/c1-13(14(15,16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+
InChIKeyVEUOAXKTSHEORM-ZHACJKMWSA-N
MW288.38 g/mol
LogP4.87
Rot. Bonds4

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

trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane (PubChem CID 24997841) has the molecular formula C14H19F3OSi and a molecular weight of 288.38 g/mol. Its IUPAC name is trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane
PubChem CID24997841
Molecular FormulaC14H19F3OSi
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Nametrimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane
SMILESCC(/C=C/c1ccccc1)(O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C14H19F3OSi/c1-13(14(15,16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+
InChIKeyVEUOAXKTSHEORM-ZHACJKMWSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 54.87
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-2-methyl-4-phenylbut-3-en-2-yl]oxysilane?
The IUPAC name of trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane (CID 24997841) is trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane is CC(/C=C/c1ccccc1)(O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane?
The InChIKey is VEUOAXKTSHEORM-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H19F3OSi/c1-13(14(15,16)17,18-19(2,3)4)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+.
What are the key properties of trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane?
trimethyl-[(E)-1,1,1-trifluoro-2-methyl-4-phenylbut-3-en-2-yl]oxysilane has a molecular weight of 288.38 g/mol, XLogP of 4.87, 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-2-methyl-4-phenylbut-3-en-2-yl]oxysilane is sourced from PubChem (CID 24997841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).