Delta-Heptalactone

ScientificNameLabel

Delta-Heptalactone
PHCD compound ID :	2320
Chemical Names :	Delta-Heptalactone
Molecular Formula :	C7H12O2
Molecular Weight :	128.08373

More Details :

Names & Synonyms:	6-ethyltetrahydropyran-2-one , 6-ethyl-2-oxanone , 6-ethyloxan-2-one
Smiles:	CC[C@@H]1CCCC(=O)O1
InChi :	InChI=1S/C7H12O2/c1-2-6-4-3-5-7(8)9-6/h6H,2-5H2,1H3/t6-/m1/s1
InChi Key :	InChIKey=JFVQYQDTHWLYHG-ZCFIWIBFSA-N
PubChem ID :	102968

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.335589
Hydrogen bond donor count :	0	Electric dipole moment :	4.933
XLogP :	1.395	VDW volume :	132.215887
Molecular weight :	128.08373	HOMO-LUMO gap :	11.605000

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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