CAS 14174-09-5|Dibenzo-24-crown-8-ether|2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^{12,17}]dotriaconta-1(28),12(17),13,15,29,31-hexaene|2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^{12,17}]dotri...

General Information

Structure

Molecular Formula

C₂₄H₃₂O₈

Molecular Mass

448.50608

Exact Mass

448.20971798

Charge

InChI

InChI=1S/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2

InChIKey

UNTITLLXXOKDTB-UHFFFAOYSA-N

Canonic Smiles

C1COCCOc2ccccc2OCCOCCOCCOc2c(OCCO1)cccc2

Isomeric Smiles

O1CCOCCOc2c(cccc2)OCCOCCOCCOc2c(cccc2)OCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.7848547

LogD (pH = 7.4)

2.7848547

Log P

2.7848547

Molar Refractivity

118.2048

Polarizability

46.809666

Polar Surface Area

73.84

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Dibenzo-24-crown-8-ether6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosine2,3,14,15-Dibenzo-1,4,7,10,13,16,19,22-octaoxacyclotetracosa-2,14-diene2,3,14,15-二苯并-1,4,7,10,13,16,19,22-八氧环二十四-2,14-二烯二苯并-24-冠醚-86,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenz[b,n]-1,4,7,10,13,16,19,22-octaoxacyclotetracosaneDibenzo-24-crown-8

IUPAC name

2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0^{12,17}]dotriaconta-1(28),12(17),13,15,29,31-hexaene 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹⁷]dotriaconta-1(28),12(17),13,15,29,31-hexaene 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹⁷]dotriaconta-1(32),12,14,16,28,30-hexaene

IUPAC Traditional name

Names and Identifiers

Registration numbers

Beilstein Number

PubChem SID

MDL Number

EC Number

CAS Number