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106-12-7 molecular structure
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2-(2-hydroxyethoxy)ethyl octadec-9-enoate

ChemBase ID: 109192
Molecular Formular: C22H42O4
Molecular Mass: 370.56648
Monoisotopic Mass: 370.30830982
SMILES and InChIs

SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCCO
Canonical SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCCO
InChI:
InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h9-10,23H,2-8,11-21H2,1H3
InChIKey:
PHDVPEOLXYBNJY-UHFFFAOYSA-N

Cite this record

CBID:109192 http://www.chembase.cn/molecule-109192.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-hydroxyethoxy)ethyl octadec-9-enoate
IUPAC Traditional name
2-(2-hydroxyethoxy)ethyl octadec-9-enoate
Synonyms
DIETHYLENE GLYCOL MONOOLEATE
CAS Number
106-12-7
EC Number
203-364-0
PubChem SID
162094911
PubChem CID
6537228

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210154 external link Add to cart Please log in.
Data Source Data ID
PubChem 6537228 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121155  H Acceptors
H Donor LogD (pH = 5.5) 6.192615 
LogD (pH = 7.4) 6.192615  Log P 6.192615 
Molar Refractivity 109.507095 cm3 Polarizability 43.08324 Å3
Polar Surface Area 55.76 Å2 Rotatable Bonds 21 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05210154 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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