tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane

C17H27IO2Si — CID 10526047

IUPACtert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CI)OC/C=C/c1ccccc1
InChIInChI=1S/C17H27IO2Si/c1-17(2,3)21(4,5)20-16(14-18)19-13-9-12-15-10-7-6-8-11-15/h6-12,16H,13-14H2,1-5H3/b12-9+
InChIKeyIUQLYJFFAKRKJK-FMIVXFBMSA-N
MW418.39 g/mol
LogP5.50
Rot. Bonds7

About tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane

tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane (PubChem CID 10526047) has the molecular formula C17H27IO2Si and a molecular weight of 418.39 g/mol. Its IUPAC name is tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane
PubChem CID10526047
Molecular FormulaC17H27IO2Si
Molecular Weight418.39 g/mol
Exact Mass418.08
IUPAC Nametert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(CI)OC/C=C/c1ccccc1
InChIInChI=1S/C17H27IO2Si/c1-17(2,3)21(4,5)20-16(14-18)19-13-9-12-15-10-7-6-8-11-15/h6-12,16H,13-14H2,1-5H3/b12-9+
InChIKeyIUQLYJFFAKRKJK-FMIVXFBMSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
[(E)-3-benzhydryloxyprop-1-enyl]benzene
CID 11197353
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol
CID 16720182
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
dimethoxy-methyl-(3-phenylprop-2-enoxy)silane
CID 74935148
N-methyl-1-phenyl-1-(3-phenylprop-2-enoxy)propan-2-amine
CID 67312766
3-(3-phenylprop-2-enoxy)butanenitrile
CID 114995118

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane (CID 10526047) is tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC(CI)OC/C=C/c1ccccc1.
What is the InChIKey of tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane?
The InChIKey is IUQLYJFFAKRKJK-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H27IO2Si/c1-17(2,3)21(4,5)20-16(14-18)19-13-9-12-15-10-7-6-8-11-15/h6-12,16H,13-14H2,1-5H3/b12-9+.
What are the key properties of tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane?
tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane has a molecular weight of 418.39 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-iodo-1-[(E)-3-phenylprop-2-enoxy]ethoxy]-dimethylsilane is sourced from PubChem (CID 10526047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).