dihydroeugenyl-butanoate

ScientificNameLabel

dihydroeugenyl-butanoate
PHCD compound ID :	4558
Chemical Names :	dihydroeugenyl-butanoate
Molecular Formula :	C14H20O3
Molecular Weight :	236.141245

More Details :

Names & Synonyms:
Smiles:	CCCC(=O)Oc1ccc(cc1OC)CCC
InChi :	InChI=1S/C14H20O3/c1-4-6-11-8-9-12(13(10-11)16-3)17-14(15)7-5-2/h8-10H,4-7H2,1-3H3
InChi Key :	InChIKey=GUROFRMSDAVIBF-UHFFFAOYSA-N
PubChem ID :

Rotatable bond count :	7	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	8.706268
Hydrogen bond donor count :	0	Electric dipole moment :	2.585
XLogP :	3.413	VDW volume :	243.26863
Molecular weight :	236.141245	HOMO-LUMO gap :	8.924000

Herb list :

Myrtle - Myrtus communis - مورد

Refrences & Litretures:


698. Journal:'Journal of Essential Oil Research' Year:'2015' Volume:'27' Page:'465' DOI:'10.1080/10412905.2015.1065773' Title:'Chemical composition of essential oils of leaves and flowers from five cultivars of myrtle (Myrtus communis L.)'

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