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1171920-38-9 molecular structure
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2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine-6-carbaldehyde

ChemBase ID: 44955
Molecular Formular: C15H21NO3Si
Molecular Mass: 291.41764
Monoisotopic Mass: 291.12907007
SMILES and InChIs

SMILES:
c1c(cc2c(n1)cc(o2)CO[Si](C(C)(C)C)(C)C)C=O
Canonical SMILES:
O=Cc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
InChI:
InChI=1S/C15H21NO3Si/c1-15(2,3)20(4,5)18-10-12-7-13-14(19-12)6-11(9-17)8-16-13/h6-9H,10H2,1-5H3
InChIKey:
JJPOLIUDVHQDPX-UHFFFAOYSA-N

Cite this record

CBID:44955 http://www.chembase.cn/molecule-44955.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine-6-carbaldehyde
IUPAC Traditional name
2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridine-6-carbaldehyde
Synonyms
2-((tert-Butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridine-6-carbaldehyde
2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carbaldehyde
2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carbaldehyde
CAS Number
1171920-38-9
MDL Number
MFCD12401662
PubChem SID
162049718
PubChem CID
46737920

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46737920 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8804362  LogD (pH = 7.4) 2.8804991 
Log P 2.8805  Molar Refractivity 75.4957 cm3
Polarizability 32.22479 Å3 Polar Surface Area 52.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C15H21NO3Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001160 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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