Hex-2-enyl hexanoate

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Hex-2-enyl hexanoate
PHCD compound ID :	2297
Chemical Names :	Hex-2-enyl hexanoate
Molecular Formula :	C12H22O2
Molecular Weight :	198.16198

More Details :

Names & Synonyms:	hex-2-enyl hexanoate , hexanoic acid hex-2-enyl ester
Smiles:	CCCCCC(=O)OC/C=C/CCC
InChi :	InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
InChi Key :	InChIKey=UQPLEMTXCSYMEK-VQHVLOKHSA-N
PubChem ID :	92572

Rotatable bond count :	9	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.838001
Hydrogen bond donor count :	0	Electric dipole moment :	2.011
XLogP :	4.373	VDW volume :	228.41581
Molecular weight :	198.16198	HOMO-LUMO gap :	10.763000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'

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