Delta-Hexalactone

ScientificNameLabel

Delta-Hexalactone
PHCD compound ID :	2319
Chemical Names :	Delta-Hexalactone
Molecular Formula :	C6H10O2
Molecular Weight :	114.06808

More Details :

Names & Synonyms:	6-methyltetrahydropyran-2-one , 6-methyl-2-oxanone , 6-methyloxan-2-one
Smiles:	C[C@@H]1CCCC(=O)O1
InChi :	InChI=1S/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3/t5-/m1/s1
InChi Key :	InChIKey=RZTOWFMDBDPERY-RXMQYKEDSA-N
PubChem ID :	13204

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.409738
Hydrogen bond donor count :	0	Electric dipole moment :	5.038
XLogP :	1.037	VDW volume :	114.919902
Molecular weight :	114.06808	HOMO-LUMO gap :	11.642000

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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