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1188996-58-8 molecular structure
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tert-butyl N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}carbamate

ChemBase ID: 50660
Molecular Formular: C16H24N2O3Si
Molecular Mass: 320.45886
Monoisotopic Mass: 320.15561917
SMILES and InChIs

SMILES:
c1c(cc2c(n1)cc(o2)[Si](C)(C)C)CNC(=O)OC(C)(C)C
Canonical SMILES:
O=C(OC(C)(C)C)NCc1cnc2c(c1)oc(c2)[Si](C)(C)C
InChI:
InChI=1S/C16H24N2O3Si/c1-16(2,3)21-15(19)18-10-11-7-13-12(17-9-11)8-14(20-13)22(4,5)6/h7-9H,10H2,1-6H3,(H,18,19)
InChIKey:
LKWDGCJFTLMBOF-UHFFFAOYSA-N

Cite this record

CBID:50660 http://www.chembase.cn/molecule-50660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}carbamate
IUPAC Traditional name
tert-butyl N-{[2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl]methyl}carbamate
Synonyms
tert-Butyl (2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl)methylcarbamate
tert-Butyl (2-(trimethylsilyl)furo[3,2-b]pyridin-6-yl)methylcarbamate
CAS Number
1188996-58-8
MDL Number
MFCD13176661
PubChem SID
162055423
PubChem CID
46318205

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46318205 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.133059  H Acceptors
H Donor LogD (pH = 5.5) 3.3419874 
LogD (pH = 7.4) 3.3427896  Log P 3.3428 
Molar Refractivity 81.0335 cm3 Polarizability 35.219543 Å3
Polar Surface Area 64.36 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)
C16H24N2O3Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001199 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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INTERNET

INTERNET

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