11-Dodecanolide

ScientificNameLabel

11-Dodecanolide
PHCD compound ID :	1437
Chemical Names :	11-Dodecanolide
Molecular Formula :	C12H22O2
Molecular Weight :	198.16198

More Details :

Names & Synonyms:	12-methyl-oxacyclododecan-2-one , 12-methyl-1-oxacyclododecan-2-one
Smiles:	C[C@@H]1CCCCCCCCCC(=O)O1
InChi :	InChI=1S/C12H22O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h11H,2-10H2,1H3/t11-/m1/s1
InChi Key :	InChIKey=IBLSRZGJYAOPLB-LLVKDONJSA-N
PubChem ID :	543499

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.517758
Hydrogen bond donor count :	0	Electric dipole moment :	1.993
XLogP :	4.24	VDW volume :	218.69581
Molecular weight :	198.16198	HOMO-LUMO gap :	11.857000

Herb list :

Erio yarrow - Achillea eriophora - بومادران

Refrences & Litretures:


154. Journal:'Flavour Fragr. J' Year:'1997' Volume:'12' Page:'71' DOI:'' Title:'Constituents of the Essential Oil of Achillea eriophora DC'

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