tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane

C16H23F3OSi — CID 10980030

IUPACtert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H23F3OSi/c1-15(2,3)21(4,5)20-14(16(17,18)19)12-11-13-9-7-6-8-10-13/h6-12,14H,1-5H3/b12-11+/t14-/m0/s1
InChIKeyMLJRPGRXPGOLON-GETOMWPZSA-N
MW316.44 g/mol
LogP5.65
Rot. Bonds4

About tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane

tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane (PubChem CID 10980030) has the molecular formula C16H23F3OSi and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
PubChem CID10980030
Molecular FormulaC16H23F3OSi
Molecular Weight316.44 g/mol
Exact Mass316.15
IUPAC Nametert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H23F3OSi/c1-15(2,3)21(4,5)20-14(16(17,18)19)12-11-13-9-7-6-8-10-13/h6-12,14H,1-5H3/b12-11+/t14-/m0/s1
InChIKeyMLJRPGRXPGOLON-GETOMWPZSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
tert-butyl-dimethyl-[(E,2S)-1,1,1-trichloro-4-(4-ethylphenyl)but-3-en-2-yl]oxysilane
CID 10916217
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
CID 169094383
(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 138969278
tert-butyl-[(Z,1S)-1,3-diphenylprop-2-enyl]-dimethylsilane
CID 102432622
[(1E,5E)-3,3-difluoro-6-phenyl-4-phenylmethoxyhexa-1,5-dienyl]-trimethylsilane
CID 100950780

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane (CID 10980030) is tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane?
The InChIKey is MLJRPGRXPGOLON-GETOMWPZSA-N. The full InChI is InChI=1S/C16H23F3OSi/c1-15(2,3)21(4,5)20-14(16(17,18)19)12-11-13-9-7-6-8-10-13/h6-12,14H,1-5H3/b12-11+/t14-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane has a molecular weight of 316.44 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane is sourced from PubChem (CID 10980030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).