Prenyl isobutyrate

ScientificNameLabel

Prenyl isobutyrate
PHCD compound ID :	2821
Chemical Names :	Prenyl isobutyrate
Molecular Formula :	C9H16O2
Molecular Weight :	156.11503

More Details :

Names & Synonyms:	3-methylbut-2-enyl 2-methylpropanoate , 2-methylpropanoic acid 3-methylbut-2-enyl ester , 2-methylpropionic acid 3-methylbut-2-enyl ester
Smiles:	CC(=CCOC(=O)C(C)C)C
InChi :	InChI=1S/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h5,8H,6H2,1-4H3
InChi Key :	InChIKey=YSJHMPXIMIOXGU-UHFFFAOYSA-N
PubChem ID :	173535

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.472080
Hydrogen bond donor count :	0	Electric dipole moment :	1.676
XLogP :	1.988	VDW volume :	176.527856
Molecular weight :	156.11503	HOMO-LUMO gap :	10.574000

Herb list :

Hop - Humulus lupulus - رازک

Refrences & Litretures:


341. Journal:'Journal of Brewing and Distilling' Year:'2011' Volume:'2' Page:'16' DOI:'' Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'

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