CAS 1189171-55-8|methyl (2E)-3-(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)prop-2-enoate|(E)-Methyl 3-(2-((tert-butyldimethylsilyloxy)-methyl)furo[3,2-b]pyridin-6-yl)acrylate|me...

General Information

Structure

Molecular Formula

C₁₈H₂₅NO₄Si

Molecular Mass

347.4809

Exact Mass

347.15528482

Charge

InChI

InChI=1S/C18H25NO4Si/c1-18(2,3)24(5,6)22-12-14-10-15-16(23-14)9-13(11-19-15)7-8-17(20)21-4/h7-11H,12H2,1-6H3/b8-7+

InChIKey

YJKDRRBSPXEGHX-BQYQJAHWSA-N

Canonic Smiles

COC(=O)/C=C/c1cnc2c(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=C/C(=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.2906947

LogD (pH = 7.4)

4.2911935

Log P

4.2912

Molar Refractivity

90.6827

Polarizability

38.288376

Polar Surface Area

61.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

(E)-Methyl 3-(2-((tert-butyldimethylsilyloxy)-methyl)furo[3,2-b]pyridin-6-yl)acrylate(E)-Methyl 3-(2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)acrylate(E)-Methyl 3-(2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)acrylate

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem SID

CAS Number

PubChem CID

MDL Number

Registration numbers

Properties

Safety Information

Storage Warning

IRRITANT

TSCA Listed

false

MSDS Link

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Product Information

Empirical Formula (Hill Notation)

C18H25NO4Si

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

Sigma Aldrich

ADE001177

Other Notes
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Molecule Details

References

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References

Bioactivity

PubChem BioAssay

Bioactivity

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