2-methylbutenal

ScientificNameLabel

2-methylbutenal
PHCD compound ID :	3476
Chemical Names :	2-methylbutenal
Molecular Formula :	C5H8O1
Molecular Weight :	84.057515

More Details :

Names & Synonyms:	(E)-2-methylbut-2-enal , (E)-2-methyl-2-butenal
Smiles:	C/C=C(/C=O)\C
InChi :	InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
InChi Key :	InChIKey=ACWQBUSCFPJUPN-HWKANZROSA-N
PubChem ID :	5321950

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.050090
Hydrogen bond donor count :	0	Electric dipole moment :	3.480
XLogP :	0.998	VDW volume :	98.553691
Molecular weight :	84.057515	HOMO-LUMO gap :	9.864000

Herb list :

Horse chestnut - Aesculus hippocastanum - شاه بلوط هندی

Refrences & Litretures:


486. Journal:'Journal of Essential Oil Research' Year:'1994' Volume:'6' Page:'93' DOI:'10.1080/10412905.1994.9698335' Title:'Volatiles of Common Horsechestnut (Aesculus hippocastanum L.) (Hippocastanaceae) Blossoms'

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