2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane

C24H28BrNO2Si — CID 140794946

IUPAC2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Oc1ccc(Br)cn1
InChIInChI=1S/C24H28BrNO2Si/c1-19(28-23-16-15-20(25)17-26-23)18-27-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,19H,18H2,1-4H3
InChIKeyVRHOBUKDINZPMA-UHFFFAOYSA-N
MW470.48 g/mol
LogP5.19
Rot. Bonds7

About 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane

2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane (PubChem CID 140794946) has the molecular formula C24H28BrNO2Si and a molecular weight of 470.48 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane
PubChem CID140794946
Molecular FormulaC24H28BrNO2Si
Molecular Weight470.48 g/mol
Exact Mass469.11
IUPAC Name2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Oc1ccc(Br)cn1
InChIInChI=1S/C24H28BrNO2Si/c1-19(28-23-16-15-20(25)17-26-23)18-27-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,19H,18H2,1-4H3
InChIKeyVRHOBUKDINZPMA-UHFFFAOYSA-N
XLogP5.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
CID 140814430
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
3-[tert-butyl(diphenyl)silyl]oxy-2-pyrimidin-2-ylpropane-1-thiol
CID 170983923
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
CID 91800510
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide
CID 134886876
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane (CID 140794946) is 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane is CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)Oc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane?
The InChIKey is VRHOBUKDINZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrNO2Si/c1-19(28-23-16-15-20(25)17-26-23)18-27-29(24(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-17,19H,18H2,1-4H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane?
2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane has a molecular weight of 470.48 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)oxy]propoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 140794946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).