(Z)-2-Penten-1-yl butanoate

ScientificNameLabel

(Z)-2-Penten-1-yl butanoate
PHCD compound ID :	3471
Chemical Names :	(Z)-2-Penten-1-yl butanoate
Molecular Formula :	C9H16O2
Molecular Weight :	156.11503

More Details :

Names & Synonyms:	[(Z)-pent-2-enyl] butanoate , butanoic acid [(Z)-pent-2-enyl] ester , butyric acid [(Z)-pent-2-enyl] ester
Smiles:	CC/C=C\COC(=O)CCC
InChi :	InChI=1S/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChi Key :	InChIKey=ZZHQHHZVZDBPNY-WAYWQWQTSA-N
PubChem ID :	5366233

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.890403
Hydrogen bond donor count :	0	Electric dipole moment :	1.547
XLogP :	2.666	VDW volume :	176.527856
Molecular weight :	156.11503	HOMO-LUMO gap :	10.827000

Herb list :

Horse chestnut - Aesculus hippocastanum - شاه بلوط هندی

Refrences & Litretures:


485. Journal:'J Chem Ecol' Year:'2006' Volume:'32' Page:'2303' DOI:'10.1007/s10886-006-9146-4' Title:'Volatile Emissions from Aesculus hippocastanum Induced by Mining of Larval Stages of Cameraria ohridella Influence Oviposition by Conspecific Females'

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