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Z-10-Tetradecen-1-ol acetate
ScientificNameLabel
Z-10-Tetradecen-1-ol acetate
PHCD compound ID :
5111
Chemical Names :
Z-10-Tetradecen-1-ol acetate
Molecular Formula :
C16H30O2
Molecular Weight :
254.22458
More Details :
Names & Synonyms:
[(Z)-tetradec-10-enyl] acetate , acetic acid [(Z)-tetradec-10-enyl] ester , [(
Z
)-tetradec-10-enyl] acetate , [(Z)-tetradec-10-enyl] ethanoate
Smiles:
CCC/C=C\CCCCCCCCCOC(=O)C
InChi :
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h5-6H,3-4,7-15H2,1-2H3/b6-5-
InChi Key :
InChIKey=LAXUVNVWTBEWKE-WAYWQWQTSA-N
PubChem ID :
5363221
Rotatable bond count :
13
Rule of five :
2
Hydrogen bond acceptor count :
2
Ionization potential :
9.649172
Hydrogen bond donor count :
0
Electric dipole moment :
1.913
XLogP :
6.765
VDW volume :
297.599749
Molecular weight :
254.22458
HOMO-LUMO gap :
10.785000
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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