3-methyl-3-hexen-2-ol

ScientificNameLabel

3-methyl-3-hexen-2-ol
PHCD compound ID :	4606
Chemical Names :	3-methyl-3-hexen-2-ol
Molecular Formula :	C7H14O1
Molecular Weight :	114.104465

More Details :

Names & Synonyms:	(E)-3-methylhex-3-en-2-ol , (E)-3-methyl-3-hexen-2-ol
Smiles:	CC/C=C(/[C@H](O)C)\C
InChi :	InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h5,7-8H,4H2,1-3H3/b6-5+/t7-/m1/s1
InChi Key :	InChIKey=ALSBKNSBCLYOOI-WEWAHIQMSA-N
PubChem ID :	5363574

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.387296
Hydrogen bond donor count :	1	Electric dipole moment :	1.679
XLogP :	1.481	VDW volume :	135.782119
Molecular weight :	114.104465	HOMO-LUMO gap :	10.540000

Herb list :

Dog rose, Briar rose, Hip-rose - Rosa canina - نسترن وحشی، گل سگ

Refrences & Litretures:


715. Journal:'Z Naturforsch C' Year:'2005' Volume:'60' Page:'369' DOI:'' Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'

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