Ethyl 4,4-D2-N-hexyl ether

ScientificNameLabel

Ethyl 4,4-D2-N-hexyl ether
PHCD compound ID :	5101
Chemical Names :	Ethyl 4,4-D2-N-hexyl ether
Molecular Formula :	C8H18O1
Molecular Weight :	130.135765

More Details :

Names & Synonyms:	1-ethoxyhexane
Smiles:	CCCCCCOCC
InChi :	InChI=1S/C8H18O/c1-3-5-6-7-8-9-4-2/h3-8H2,1-2H3
InChi Key :	InChIKey=ZXHQLEQLZPJIFG-UHFFFAOYSA-N
PubChem ID :	111843

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.745091
Hydrogen bond donor count :	0	Electric dipole moment :	1.258
XLogP :	2.931	VDW volume :	155.714562
Molecular weight :	130.135765	HOMO-LUMO gap :	12.252000

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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