2-ethyl-4-pentenal

ScientificNameLabel

2-ethyl-4-pentenal
PHCD compound ID :	4138
Chemical Names :	2-ethyl-4-pentenal
Molecular Formula :	C7H12O1
Molecular Weight :	112.088815

More Details :

Names & Synonyms:	2-ethylpent-4-enal , 2-ethyl-4-pentenal
Smiles:	C=CC[C@H](C=O)CC
InChi :	InChI=1S/C7H12O/c1-3-5-7(4-2)6-8/h3,6-7H,1,4-5H2,2H3/t7-/m1/s1
InChi Key :	InChIKey=UADJTDURPOSPRM-SSDOTTSWSA-N
PubChem ID :	21264

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.028081
Hydrogen bond donor count :	0	Electric dipole moment :	2.879
XLogP :	2.221	VDW volume :	133.14566
Molecular weight :	112.088815	HOMO-LUMO gap :	10.697000

Herb list :

Cubeb pepper, Cubeb - Piper cubeba - کبابه، کبابه چینی

Refrences & Litretures:


577. Journal:'J. Essent. Oil Res' Year:'2007' Volume:'19' Page:'14' DOI:'10.1080/10412905.2007.9699217' Title:'Essential Oil Constituents of Piper cubeba L. fils. from Indonesia'

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