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2-[(Z)-9-octadecenyloxyethanol]
ScientificNameLabel
2-[(Z)-9-octadecenyloxyethanol]
PHCD compound ID :
5489
Chemical Names :
2-[(Z)-9-octadecenyloxyethanol]
Molecular Formula :
C20H40O2
Molecular Weight :
312.302831
More Details :
Names & Synonyms:
2-[(Z)-octadec-9-enoxy]ethanol , 2-[(
Z
)-octadec-9-enoxy]ethanol
Smiles:
CCCCCCCC/C=C\CCCCCCCCOCCO
InChi :
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9-
InChi Key :
InChIKey=KWVPFECTOKLOBL-KTKRTIGZSA-N
PubChem ID :
5364713
Rotatable bond count :
18
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
9.578943
Hydrogen bond donor count :
1
Electric dipole moment :
0.876
XLogP :
8.111
VDW volume :
369.420146
Molecular weight :
312.302831
HOMO-LUMO gap :
10.789000
Herb list :
Common dandelion - Taraxacum officinale - گل قاصدک
Refrences & Litretures:
921. Journal:'Evidence-Based Complementary and Alternative Medicine' Year:'2018' Volume:'' Page:'2706417' DOI:'10.1155/2018/2706417' Title:'Isolation and Identification of Compounds from Bioactive Extracts of Taraxacum officinale Weber ex F. H. Wigg. (Dandelion) as a Potential Source of Antibacterial Agents'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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