isopropyl isopentanoate

ScientificNameLabel

isopropyl isopentanoate
PHCD compound ID :	4376
Chemical Names :	isopropyl isopentanoate
Molecular Formula :	C8H16O2
Molecular Weight :	144.11503

More Details :

Names & Synonyms:	isopropyl 3-methylbutanoate , 3-methylbutanoic acid propan-2-yl ester , propan-2-yl 3-methylbutanoate , 3-methylbutyric acid isopropyl ester
Smiles:	CC(CC(=O)OC(C)C)C
InChi :	InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3
InChi Key :	InChIKey=ZOIRKXLFEHOVER-UHFFFAOYSA-N
PubChem ID :	61914

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.519376
Hydrogen bond donor count :	0	Electric dipole moment :	2.107
XLogP :	2.454	VDW volume :	161.86833
Molecular weight :	144.11503	HOMO-LUMO gap :	11.809000

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)'

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