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...

基本信息

化学结构

分子式

C₂₄H₃₂O₈

分子量

448.50608

精确质量

448.20971798

电荷

0

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

计算属性

JChem

质子受体

8

质子供体

0

LogD (pH = 5.5)

2.7848547

LogD (pH = 7.4)

2.7848547

Log P

2.7848547

摩尔折射率

118.2048

极化性

46.809666

极化表面积

73.84

可自由旋转的化学键

0

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

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

别名

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]octaoxacyclotetracosine2,3,14,15-二苯并-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-82,3,14,15-Dibenzo-1,4,7,10,13,16,19,22-octaoxacyclotetracosa-2,14-diene

IUPAC传统名

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

名称和标识

数据登录号

PubChem SID

Beilstein号

MDL号

EC号

CAS号