3-Octyn-2-ol

ScientificNameLabel

3-Octyn-2-ol
PHCD compound ID :	1248
Chemical Names :	3-Octyn-2-ol
Molecular Formula :	C8H14O1
Molecular Weight :	126.104465

More Details :

Names & Synonyms:	oct-3-yn-2-ol , 3-octyn-2-ol
Smiles:	CCCCC#C[C@H](O)C
InChi :	InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h8-9H,3-5H2,1-2H3/t8-/m1/s1
InChi Key :	InChIKey=RRRODBVLAIUQDT-MRVPVSSYSA-N
PubChem ID :	536438

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.288306
Hydrogen bond donor count :	1	Electric dipole moment :	2.676
XLogP :	2.496	VDW volume :	150.441645
Molecular weight :	126.104465	HOMO-LUMO gap :	11.583000

Herb list :

Citron, Persian apple - Citrus medica - بالنگ، ترنج، بادرنگ

Refrences & Litretures:


130. Journal:'J. Sci. Res' Year:'2009' Volume:'1' Page:'387' DOI:'10.3329/jsr.v1i2.1760' Title:'Constituents of Peel and Leaf Essential Oils of Citrus Medica L'

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