cis-pseudoisoeugenyl 2-methyl butyrate

ScientificNameLabel

cis-pseudoisoeugenyl 2-methyl butyrate
PHCD compound ID :	692
Chemical Names :	cis-pseudoisoeugenyl 2-methyl butyrate
Molecular Formula :	C14H18O3
Molecular Weight :	234.125594

More Details :

Names & Synonyms:
Smiles:	C/C=C\c1ccc(c(c1)OC)OC(=O)C(C)C
InChi :	InChI=1S/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5-10H,1-4H3/b6-5-
InChi Key :	InChIKey=HEOQGBRLGAJSLZ-WAYWQWQTSA-N
PubChem ID :

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	3	Ionization potential :	8.726514
Hydrogen bond donor count :	0	Electric dipole moment :	1.447
XLogP :	3.091	VDW volume :	240.632171
Molecular weight :	234.125594	HOMO-LUMO gap :	8.868000

Herb list :

Anise - Pimpinella anisum - انيسون

Refrences & Litretures:


44. Journal:'J. Agric. Food Chem' Year:'2003' Volume:'51' Page:'1518' DOI:'10.1021/jf0257493' Title:'Supercritical Extraction of Essential Oil from Aniseed (Pimpinella anisum L) Using CO2: Solubility, Kinetics, and Composition Data'

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