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Octaethylene glycol monododecyl ether
ScientificNameLabel
Octaethylene glycol monododecyl ether
PHCD compound ID :
5116
Chemical Names :
Octaethylene glycol monododecyl ether
Molecular Formula :
C28H58O9
Molecular Weight :
538.408083
More Details :
Names & Synonyms:
2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol , 2-[2-[2-[2-[2-[2-[2-(2-lauryloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Smiles:
CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi :
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
InChi Key :
InChIKey=YYELLDKEOUKVIQ-UHFFFAOYSA-N
PubChem ID :
123921
Rotatable bond count :
34
Rule of five :
1
Hydrogen bond acceptor count :
9
Ionization potential :
9.939034
Hydrogen bond donor count :
1
Electric dipole moment :
1.894
XLogP :
3.883
VDW volume :
571.956069
Molecular weight :
538.408083
HOMO-LUMO gap :
11.122000
Herb list :
Wild celery, Celery - Apium graveolens - کرفس، کرفس وحشی
Refrences & Litretures:
806. Journal:'Immunopharmacology and Immunotoxicology' Year:'2012' Volume:'34' Page:'205' DOI:'10.3109/08923973.2011.592534' Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
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