CAS 1186310-87-1|3-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol|3-(2-((tert-Butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol|3-(2-{[(tert-butyldi...

General Information

Structure

Molecular Formula

C₁₇H₂₃NO₃Si

Molecular Mass

317.45492

Exact Mass

317.14472013

Charge

InChI

InChI=1S/C17H23NO3Si/c1-17(2,3)22(4,5)20-12-14-10-15-16(21-14)9-13(11-18-15)7-6-8-19/h9-11,19H,8,12H2,1-5H3

InChIKey

GIWKEKOJWWACNO-UHFFFAOYSA-N

Canonic Smiles

OCC#Cc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C

Isomeric Smiles

c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)C#CCO

Calculated Properties

JChem

Acid pKa

14.076645

H Acceptors

H Donor

LogD (pH = 5.5)

2.6722095

LogD (pH = 7.4)

2.6722987

Log P

2.6723

Molar Refractivity

81.3595

Polarizability

35.363804

Polar Surface Area

55.49

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-(2-((tert-Butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol3-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol3-(2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol

IUPAC name

3-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol

IUPAC Traditional name

3-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

MSDS Link

Download link

Storage Warning

IRRITANT

TSCA Listed

false

Product Information

Empirical Formula (Hill Notation)

C17H23NO3Si

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

ADE001174

Other Notes
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Molecule Details

References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

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Calculated Properties