tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane

C22H27F3OSi — CID 150355480

IUPACtert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
SMILESC[C@H](/C=C\C(F)(F)F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H27F3OSi/c1-18(15-16-22(23,24)25)17-26-27(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18H,17H2,1-4H3/b16-15-/t18-/m1/s1
InChIKeyGUPXAIXYVGWNHR-WBYGGXTKSA-N
MW392.54 g/mol
LogP5.32
Rot. Bonds6

About tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane

tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane (PubChem CID 150355480) has the molecular formula C22H27F3OSi and a molecular weight of 392.54 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
PubChem CID150355480
Molecular FormulaC22H27F3OSi
Molecular Weight392.54 g/mol
Exact Mass392.18
IUPAC Nametert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
SMILESC[C@H](/C=C\C(F)(F)F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H27F3OSi/c1-18(15-16-22(23,24)25)17-26-27(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18H,17H2,1-4H3/b16-15-/t18-/m1/s1
InChIKeyGUPXAIXYVGWNHR-WBYGGXTKSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide
CID 134886876
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;ethane
CID 134886533
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
CID 11749339
[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane
CID 11374218
(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane (CID 150355480) is tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane is C[C@H](/C=C\C(F)(F)F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane?
The InChIKey is GUPXAIXYVGWNHR-WBYGGXTKSA-N. The full InChI is InChI=1S/C22H27F3OSi/c1-18(15-16-22(23,24)25)17-26-27(21(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18H,17H2,1-4H3/b16-15-/t18-/m1/s1.
What are the key properties of tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane?
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane has a molecular weight of 392.54 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane is sourced from PubChem (CID 150355480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).