2-Isopropyl-5-methyl-(2E)-hexenal

ScientificNameLabel

2-Isopropyl-5-methyl-(2E)-hexenal
PHCD compound ID :	1683
Chemical Names :	2-Isopropyl-5-methyl-(2E)-hexenal
Molecular Formula :	C10H18O1
Molecular Weight :	154.135765

More Details :

Names & Synonyms:	(E)-2-isopropyl-5-methyl-hex-2-enal , (E)-5-methyl-2-propan-2-yl-2-hexenal , (E)-5-methyl-2-propan-2-ylhex-2-enal , (E)-5-methyl-2-propan-2-yl-hex-2-enal
Smiles:	O=C/C(=C/CC(C)C)/C(C)C
InChi :	InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6-
InChi Key :	InChIKey=IOLQAHFPDADCHJ-POHAHGRESA-N
PubChem ID :	5362661

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.888831
Hydrogen bond donor count :	0	Electric dipole moment :	2.888
XLogP :	3.507	VDW volume :	185.033614
Molecular weight :	154.135765	HOMO-LUMO gap :	10.338000

Herb list :

Colt's foot, Horse hoof - Tussilago farfara - پای خر

Refrences & Litretures:


190. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'413' DOI:'' Title:'Volatile Oils of Flowers and Stems of Tussilago farfara L. from Lithuania'

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