heptyloctanoate

ScientificNameLabel

heptyloctanoate
PHCD compound ID :	4382
Chemical Names :	heptyloctanoate
Molecular Formula :	C15H30O2
Molecular Weight :	242.22458

More Details :

Names & Synonyms:	heptyl octanoate , octanoic acid heptyl ester , caprylic acid heptyl ester
Smiles:	CCCCCCCOC(=O)CCCCCCC
InChi :	InChI=1S/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChi Key :	InChIKey=TZXWLJYLYILFGM-UHFFFAOYSA-N
PubChem ID :	61342

Rotatable bond count :	13	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.587029
Hydrogen bond donor count :	0	Electric dipole moment :	2.101
XLogP :	6.396	VDW volume :	282.940223
Molecular weight :	242.22458	HOMO-LUMO gap :	11.779000

Herb list :

Cow-parsnip - Heracleum persicum - گلپر

Refrences & Litretures:


650. Journal:'Span J Agric Res' Year:'2014' Volume:'12' Page:'1166' DOI:'10.5424/sjar/2014124-6527' Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us