heptanone,2-methyl-4-

ScientificNameLabel

heptanone,2-methyl-4-
PHCD compound ID :	3533
Chemical Names :	heptanone,2-methyl-4-
Molecular Formula :	C8H16O1
Molecular Weight :	128.120115

More Details :

Names & Synonyms:	2-methylheptan-4-one , 2-methyl-4-heptanone
Smiles:	CCCC(=O)CC(C)C
InChi :	InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChi Key :	InChIKey=AKRJXOYALOGLHQ-UHFFFAOYSA-N
PubChem ID :	69378

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.931018
Hydrogen bond donor count :	0	Electric dipole moment :	3.094
XLogP :	2.337	VDW volume :	153.078104
Molecular weight :	128.120115	HOMO-LUMO gap :	10.922000

Herb list :

Hemp - Cannabis sativa - شاهدانه

Refrences & Litretures:


491. Journal:'J. Nut. Prod' Year:'1996' Volume:'59' Page:'49' DOI:'' Title:'The Volatile Oil Composition of Fresh and Air-Dried Buds of Cannabis sativa'

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