Isopropyl 3-methyl-2-butenoate

ScientificNameLabel

Isopropyl 3-methyl-2-butenoate
PHCD compound ID :	4370
Chemical Names :	Isopropyl 3-methyl-2-butenoate
Molecular Formula :	C8H14O2
Molecular Weight :	142.09938

More Details :

Names & Synonyms:	isopropyl 3-methylbut-2-enoate , 3-methyl-2-butenoic acid propan-2-yl ester , propan-2-yl 3-methylbut-2-enoate , 3-methylbut-2-enoic acid isopropyl ester
Smiles:	CC(OC(=O)C=C(C)C)C
InChi :	InChI=1S/C8H14O2/c1-6(2)5-8(9)10-7(3)4/h5,7H,1-4H3
InChi Key :	InChIKey=QQVQBUXUAZCLLZ-UHFFFAOYSA-N
PubChem ID :	15613

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.104461
Hydrogen bond donor count :	0	Electric dipole moment :	1.874
XLogP :	2.002	VDW volume :	159.231872
Molecular weight :	142.09938	HOMO-LUMO gap :	10.255000

Herb list :

Cow-parsnip - Heracleum persicum - گلپر

Refrences & Litretures:


648. Journal:'Journal of Essential Oil Bearing Plants' Year:'2013' Volume:'16' Page:'841' DOI:'10.1080/0972060X.2013.862078' Title:'Essential Oil Composition of Some Wild Populations of Heracleum persicum Desf. Ex Fischer Growing in Iran'

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