CAS 23244-49-7|3,6,9,12,15-pentaoxapentacosan-1-ol|Pentaethylene Glycol Monodecyl Ether|3,6,9,12,15-pentaoxapentacosan-1-ol|C10E5|Polyoxyethylene (5) decyl ether|Pentaethylene glycol monodecyl ether...

General Information

Structure

Molecular Formula

C₂₀H₄₂O₆

Molecular Mass

378.54388

Exact Mass

378.29813906

Charge

InChI

InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3

InChIKey

QAXPOSPGRHYIHE-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCOCCOCCOCCOCCOCCO

Isomeric Smiles

CCCCCCCCCCOCCOCCOCCOCCOCCO

Calculated Properties

JChem

Acid pKa

15.121156

H Acceptors

H Donor

LogD (pH = 5.5)

3.2378564

LogD (pH = 7.4)

3.2378564

Log P

3.2378564

Molar Refractivity

104.9584

Polarizability

41.661827

Polar Surface Area

66.38

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

3.38

LOG S

-5.26

Solubility (Water)

2.08e-03 g/l

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

3,6,9,12,15-pentaoxapentacosan-1-ol

Synonyms

Pentaethylene Glycol Monodecyl EtherC10E5Polyoxyethylene (5) decyl etherPentaethylene glycol monodecyl etherDecyl pentaethylene glycol etherDecylpentaglycolDetergent Screening Solution 15/Fluka kit no 66317Pentaethyleneglycol monodecyl ether solutionPentaethyleneglycol monodecyl ether 1 mM solution

IUPAC Traditional name

3,6,9,12,15-pentaoxapentacosan-1-ol

Names and Identifiers

Registration numbers

MDL Number

MFCD00043363

CAS Number

23244-49-7

Beilstein Number

2457059

PubChem SID

2488699124856921162103330