CAS 176-33-0|1,4-Dioxa-7-azaspiro[4.4]nonane|1,4-dioxa-7-azaspiro[4.4]nonane|1,4-dioxa-7-azaspiro[4.4]nonane|1,4-Dioxa-7-azaspiro[4.4]nonane|1,4-Dioxa-7-aza-spiro[4.4]nonane

General Information

Structure

Molecular Formula

C₆H₁₁NO₂

Molecular Mass

129.15704

Exact Mass

129.0789786

Charge

InChI

InChI=1S/C6H11NO2/c1-2-7-5-6(1)8-3-4-9-6/h7H,1-5H2

InChIKey

JTOUWLZSXWMCSH-UHFFFAOYSA-N

Canonic Smiles

C1NCC2(C1)OCCO2

Isomeric Smiles

C12(OCCO1)CCNC2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.986301

LogD (pH = 7.4)

-1.9738761

Log P

0.20060879

Molar Refractivity

32.1394

Polarizability

13.259674

Polar Surface Area

30.49

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1,4-Dioxa-7-azaspiro[4.4]nonane1,4-Dioxa-7-azaspiro[4.4]nonane1,4-Dioxa-7-aza-spiro[4.4]nonane

IUPAC Traditional name

1,4-dioxa-7-azaspiro[4.4]nonane

IUPAC name

1,4-dioxa-7-azaspiro[4.4]nonane

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

CBR00054

Other Notes
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Legal Information
Product of ChemBridge Corp.

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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Calculated Properties