Pentyl hexanoate

ScientificNameLabel

Pentyl hexanoate
PHCD compound ID :	2294
Chemical Names :	Pentyl hexanoate
Molecular Formula :	C11H22O2
Molecular Weight :	186.16198

More Details :

Names & Synonyms:	pentyl hexanoate , hexanoic acid pentyl ester , hexanoic acid amyl ester
Smiles:	CCCCCOC(=O)CCCCC
InChi :	InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3
InChi Key :	InChIKey=WRFZKAGPPQGDDQ-UHFFFAOYSA-N
PubChem ID :	10886

Rotatable bond count :	9	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.708794
Hydrogen bond donor count :	0	Electric dipole moment :	1.985
XLogP :	4.12	VDW volume :	213.756284
Molecular weight :	186.16198	HOMO-LUMO gap :	11.910000

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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