3-Hxenol

ScientificNameLabel

3-Hxenol
PHCD compound ID :	838
Chemical Names :	3-Hxenol , Hexan-3-ol , (z)-3-hexanol
Molecular Formula :	C6H14O1
Molecular Weight :	102.104465

More Details :

Names & Synonyms:	hexan-3-ol , 3-hexanol
Smiles:	CCC[C@@H](CC)O
InChi :	InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChi Key :	InChIKey=ZOCHHNOQQHDWHG-ZCFIWIBFSA-N
PubChem ID :	12178

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.413465
Hydrogen bond donor count :	1	Electric dipole moment :	1.855
XLogP :	1.669	VDW volume :	121.122593
Molecular weight :	102.104465	HOMO-LUMO gap :	13.392000

Herb list :

Olive - Olea europaea - زیتون

Strawberry - Fragaria vesca - توت فرنگی

Thyme, Garden thyme - Thymus vulgaris - آويشن باغی

Refrences & Litretures:


65. Journal:'Middle-East J. Sci. Res' Year:'2014' Volume:'21' Page:'1670' DOI:'' Title:'Chemical Composition, Antioxidant and Antitumor Activity of Thymus vulgaris L. Essential Oil'
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
399. Journal:'Journal of Food, Agriculture & Environment' Year:'2010' Volume:'8' Page:'204' DOI:'' Title:'Pharmacological activities and chemical composition of the Olea europaea L. leaf essential oils from Tunisia'

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