2,5-Dimethylhex-5-en-3-yn-2-ol

ScientificNameLabel

2,5-Dimethylhex-5-en-3-yn-2-ol
PHCD compound ID :	5303
Chemical Names :	2,5-Dimethylhex-5-en-3-yn-2-ol
Molecular Formula :	C8H12O1
Molecular Weight :	124.088815

More Details :

Names & Synonyms:	2,5-dimethylhex-5-en-3-yn-2-ol , 2,5-dimethyl-2-hex-5-en-3-ynol
Smiles:	CC(=C)C#CC(O)(C)C
InChi :	InChI=1S/C8H12O/c1-7(2)5-6-8(3,4)9/h9H,1H2,2-4H3
InChi Key :	InChIKey=SJZSEHKYVTZQSS-UHFFFAOYSA-N
PubChem ID :	1263612

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.687874
Hydrogen bond donor count :	1	Electric dipole moment :	1.656
XLogP :	1.896	VDW volume :	147.805186
Molecular weight :	124.088815	HOMO-LUMO gap :	9.804000

Herb list :

- Froriepia subpinnata - زلنگ

Refrences & Litretures:


856. Journal:'Journal of Essential Oil Bearing Plants' Year:'2018' Volume:'21' Page:'1119' DOI:'10.1080/0972060X.2018.1505555' Title:'Evaluation of Chemical Composition and Antibacterial Properties of Froriepia subpinnta Essential Oils from Guilan Region: Before and After Flowering'

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