5-Methylhexanoic acid

ScientificNameLabel

5-Methylhexanoic acid
PHCD compound ID :	2228
Chemical Names :	5-Methylhexanoic acid
Molecular Formula :	C7H14O2
Molecular Weight :	130.09938

More Details :

Names & Synonyms:	5-methylhexanoic acid
Smiles:	CC(CCCC(=O)O)C
InChi :	InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChi Key :	InChIKey=MHPUGCYGQWGLJL-UHFFFAOYSA-N
PubChem ID :	12344

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	11.132744
Hydrogen bond donor count :	1	Electric dipole moment :	1.948
XLogP :	2.388	VDW volume :	144.572346
Molecular weight :	130.09938	HOMO-LUMO gap :	12.089000

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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