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23244-49-7 molecular structure
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3,6,9,12,15-pentaoxapentacosan-1-ol

ChemBase ID: 2333
Molecular Formular: C20H42O6
Molecular Mass: 378.54388
Monoisotopic Mass: 378.29813906
SMILES and InChIs

SMILES:
CCCCCCCCCCOCCOCCOCCOCCOCCO
Canonical SMILES:
CCCCCCCCCCOCCOCCOCCOCCOCCO
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

Cite this record

CBID:2333 http://www.chembase.cn/molecule-2333.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6,9,12,15-pentaoxapentacosan-1-ol
IUPAC Traditional name
3,6,9,12,15-pentaoxapentacosan-1-ol
Synonyms
C10E5
Decyl pentaethylene glycol ether
Decylpentaglycol
Polyoxyethylene (5) decyl ether
Pentaethylene glycol monodecyl ether
Detergent Screening Solution 15/Fluka kit no 66317
Pentaethyleneglycol monodecyl ether solution
Pentaethyleneglycol monodecyl ether 1 mM solution
Pentaethylene Glycol Monodecyl Ether
CAS Number
23244-49-7
EC Number
231-791-2
MDL Number
MFCD00043363
Beilstein Number
2457059
PubChem SID
162103330
24886991
24856921
PubChem CID
168092

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
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 cm3 Polarizability 41.661827 Å3
Polar Surface Area 66.38 Å2 Rotatable Bonds 23 
Lipinski's Rule of Five true 
Log P 3.38  LOG S -5.26 
Solubility (Water) 2.08e-03 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
0.973 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.453 expand Show data source
RTECS
SB0375000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
Description
non-ionic expand Show data source
Cation Traces
Ca: ≤50 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤50 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Mg: ≤50 mg/kg expand Show data source
Mn: ≤50 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Product Line
BioXtra expand Show data source
Linear Formula
CH3(CH2)9(OCH2CH2)5OH expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB02605 external link
Drug information: experimental

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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