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4437-01-8 molecular structure
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2,5,8,11,14,17,20-heptaoxadocosan-22-ol

ChemBase ID: 139797
Molecular Formular: C15H32O8
Molecular Mass: 340.40978
Monoisotopic Mass: 340.20971798
SMILES and InChIs

SMILES:
COCCOCCOCCOCCOCCOCCOCCO
Canonical SMILES:
COCCOCCOCCOCCOCCOCCOCCO
InChI:
InChI=1S/C15H32O8/c1-17-4-5-19-8-9-21-12-13-23-15-14-22-11-10-20-7-6-18-3-2-16/h16H,2-15H2,1H3
InChIKey:
AGWKUHGLWHMYTG-UHFFFAOYSA-N

Cite this record

CBID:139797 http://www.chembase.cn/molecule-139797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5,8,11,14,17,20-heptaoxadocosan-22-ol
IUPAC Traditional name
2,5,8,11,14,17,20-heptaoxadocosan-22-ol
Synonyms
2,5,8,11,14,17,20-Heptaoxadocosan-22-ol
Methoxyheptaethylene glycol
Monomethoxy-PEG (n=7)
O-Methyl-heptaethylene glycol
七乙氧基乙二醇单甲醚
单甲氧基聚乙二醇 (n=7)
七甘醇单甲醚
CAS Number
4437-01-8
MDL Number
MFCD06201006
PubChem SID
162234045
24866155
PubChem CID
526555

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 526555 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121156  H Acceptors
H Donor LogD (pH = 5.5) -0.8474056 
LogD (pH = 7.4) -0.8474056  Log P -0.8474056 
Molar Refractivity 85.5658 cm3 Polarizability 33.959324 Å3
Polar Surface Area 84.84 Å2 Rotatable Bonds 20 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
≥95% (oligomer purity) expand Show data source
95+% expand Show data source
Linear Formula
HO(CH2CH2O)7CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 41749 external link
Packaging
1 g in poly tube

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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