tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane

C17H26Br2OSi — CID 169094383

IUPACtert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(Br)C(Br)/C=C/c1ccccc1
InChIInChI=1S/C17H26Br2OSi/c1-17(2,3)21(4,5)20-13-16(19)15(18)12-11-14-9-7-6-8-10-14/h6-12,15-16H,13H2,1-5H3/b12-11+
InChIKeyRUVGBHFHRMSNAA-VAWYXSNFSA-N
MW434.29 g/mol
LogP6.25
Rot. Bonds6

About tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane

tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane (PubChem CID 169094383) has the molecular formula C17H26Br2OSi and a molecular weight of 434.29 g/mol. Its IUPAC name is tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
PubChem CID169094383
Molecular FormulaC17H26Br2OSi
Molecular Weight434.29 g/mol
Exact Mass432.01
IUPAC Nametert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(Br)C(Br)/C=C/c1ccccc1
InChIInChI=1S/C17H26Br2OSi/c1-17(2,3)21(4,5)20-13-16(19)15(18)12-11-14-9-7-6-8-10-14/h6-12,15-16H,13H2,1-5H3/b12-11+
InChIKeyRUVGBHFHRMSNAA-VAWYXSNFSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.29
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane
CID 134881253
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
CID 46868612
(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
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
2-(2-bromophenyl)propoxy-tert-butyl-dimethylsilane
CID 174100478
tert-butyl-[(2R)-2-[(E,2S)-1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3,6-dihydro-2H-pyran-6-yl]-4-phenylbut-3-en-2-yl]oxy-4-methylpent-4-enoxy]-dimethylsilane
CID 134930746

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane (CID 169094383) is tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(Br)C(Br)/C=C/c1ccccc1.
What is the InChIKey of tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane?
The InChIKey is RUVGBHFHRMSNAA-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H26Br2OSi/c1-17(2,3)21(4,5)20-13-16(19)15(18)12-11-14-9-7-6-8-10-14/h6-12,15-16H,13H2,1-5H3/b12-11+.
What are the key properties of tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane has a molecular weight of 434.29 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 169094383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).