Pent-3-enyl butanoate

ScientificNameLabel

Pent-3-enyl butanoate
PHCD compound ID :	2312
Chemical Names :	Pent-3-enyl butanoate
Molecular Formula :	C9H16O2
Molecular Weight :	156.11503

More Details :

Names & Synonyms:	pent-3-enyl butanoate , butanoic acid pent-3-enyl ester , butyric acid pent-3-enyl ester
Smiles:	CCCC(=O)OCC/C=C/C
InChi :	InChI=1S/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChi Key :	InChIKey=KSGCXWBGCPXVPV-HWKANZROSA-N
PubChem ID :	71409426

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.615089
Hydrogen bond donor count :	0	Electric dipole moment :	1.948
XLogP :	2.571	VDW volume :	176.527856
Molecular weight :	156.11503	HOMO-LUMO gap :	10.768000

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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