[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane

C24H34Br2OSi — CID 154420849

IUPAC[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC[C@@H](CCBr)CCCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34Br2OSi/c1-24(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-17-21(16-19-26)11-10-18-25/h4-9,12-15,21H,10-11,16-20H2,1-3H3/t21-/m1/s1
InChIKeyJVGLFSYQQITVLX-OAQYLSRUSA-N
MW526.43 g/mol
LogP6.53
Rot. Bonds11

About [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane

[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane (PubChem CID 154420849) has the molecular formula C24H34Br2OSi and a molecular weight of 526.43 g/mol. Its IUPAC name is [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
PubChem CID154420849
Molecular FormulaC24H34Br2OSi
Molecular Weight526.43 g/mol
Exact Mass524.07
IUPAC Name[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC[C@@H](CCBr)CCCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H34Br2OSi/c1-24(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-17-21(16-19-26)11-10-18-25/h4-9,12-15,21H,10-11,16-20H2,1-3H3/t21-/m1/s1
InChIKeyJVGLFSYQQITVLX-OAQYLSRUSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.43
LogP ≤ 56.53
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

3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
CID 154423315
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 53423592
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane (CID 154420849) is [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCC[C@@H](CCBr)CCCBr)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane?
The InChIKey is JVGLFSYQQITVLX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H34Br2OSi/c1-24(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-17-21(16-19-26)11-10-18-25/h4-9,12-15,21H,10-11,16-20H2,1-3H3/t21-/m1/s1.
What are the key properties of [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane?
[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane has a molecular weight of 526.43 g/mol, XLogP of 6.53, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 154420849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).