CAS 23978-55-4|4,13-Diaza-18-crown-6-ether|cryptand 2.2|1,4,10,13-tetraoxa-7,16-diazacyclooctadecane|1,4,10,13-tetraoxa-7,16-diazacyclooctadecane|1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane|1,10-偶...

General Information

Structure

Molecular Formula

C₁₂H₂₆N₂O₄

Molecular Mass

262.34584

Exact Mass

262.18925732

Charge

InChI

InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2

InChIKey

NLMDJJTUQPXZFG-UHFFFAOYSA-N

Canonic Smiles

C1NCCOCCOCCNCCOCCOC1

Isomeric Smiles

O1CCNCCOCCOCCNCCOCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-7.0719132

LogD (pH = 7.4)

-4.2686806

Log P

-0.9167089

Molar Refractivity

69.6228

Polarizability

27.95237

Polar Surface Area

60.98

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4,13-Diaza-18-crown-6-ether1,4,10,13-tetraoxa-7,16-diazacyclooctadecane1,10-Diaza-18-crown-61,10-偶氮-18-冠-61,4,10,13-Tetraoxa-7,16-diazacyclooctadecane1,10-二氮杂-18-冠-61,4,10,13-四氧杂-7,16-二氮杂环十八烷1,10-Diaza-18-crown-61,4,10,13-Tetraoxa-7,16-diazacyclooctadecane

IUPAC Traditional name

cryptand 2.2

IUPAC name

1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Names and Identifiers

Registration numbers

PubChem CID

72805

PubChem SID

16204003024857813

MDL Number

MFCD00005112