Isopropyl butanoate

ScientificNameLabel

Isopropyl butanoate
PHCD compound ID :	2307
Chemical Names :	Isopropyl butanoate
Molecular Formula :	C7H14O2
Molecular Weight :	130.09938

More Details :

Names & Synonyms:	isopropyl butanoate , butanoic acid propan-2-yl ester , propan-2-yl butanoate , butyric acid isopropyl ester
Smiles:	CCCC(=O)OC(C)C
InChi :	InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
InChi Key :	InChIKey=FFOPEPMHKILNIT-UHFFFAOYSA-N
PubChem ID :	61184

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.652559
Hydrogen bond donor count :	0	Electric dipole moment :	2.025
XLogP :	1.946	VDW volume :	144.572346
Molecular weight :	130.09938	HOMO-LUMO gap :	11.920000

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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