[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane

C21H26BrFOSi — CID 23237174

IUPAC[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
SMILESCC(/C=C(/F)Br)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26BrFOSi/c1-17(15-20(22)23)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,17H,16H2,1-4H3/b20-15+
InChIKeyJUVSURJURTTYDJ-HMMYKYKNSA-N
MW421.43 g/mol
LogP5.40
Rot. Bonds6

About [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane

[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane (PubChem CID 23237174) has the molecular formula C21H26BrFOSi and a molecular weight of 421.43 g/mol. Its IUPAC name is [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
PubChem CID23237174
Molecular FormulaC21H26BrFOSi
Molecular Weight421.43 g/mol
Exact Mass420.09
IUPAC Name[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
SMILESCC(/C=C(/F)Br)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C21H26BrFOSi/c1-17(15-20(22)23)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,17H,16H2,1-4H3/b20-15+
InChIKeyJUVSURJURTTYDJ-HMMYKYKNSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 55.40
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

[(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
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
CID 150355480
(E,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-enoic acid
CID 16726667
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
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
N-[(Z,4S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-5-fluoro-2,7-dimethyloct-5-en-4-yl]-2,2,2-trichloroacetamide
CID 53360567
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane (CID 23237174) is [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane is CC(/C=C(/F)Br)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is JUVSURJURTTYDJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C21H26BrFOSi/c1-17(15-20(22)23)16-24-25(21(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,17H,16H2,1-4H3/b20-15+.
What are the key properties of [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane?
[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 421.43 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 23237174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).