Caryophylla-4(14),8(15)-dien-5-one

ScientificNameLabel

Caryophylla-4(14),8(15)-dien-5-one
PHCD compound ID :	1442
Chemical Names :	Caryophylla-4(14),8(15)-dien-5-one
Molecular Formula :	C15H24O1
Molecular Weight :	220.182715

More Details :

Names & Synonyms:	6,6-dimethyl-2,9-dimethylene-cycloundecanone , 6,6-dimethyl-2,9-dimethylene-1-cycloundecanone , 6,6-dimethyl-2,9-dimethylidenecycloundecan-1-one , 6,6-dimethyl-2,9-dimethylidene-cycloundecan-1-one
Smiles:	C=C1CCC(=O)C(=C)CCCC(CC1)(C)C
InChi :	InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h1-2,5-11H2,3-4H3
InChi Key :	InChIKey=UKHXWJYIXLAHEV-UHFFFAOYSA-N
PubChem ID :	6429049

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.870258
Hydrogen bond donor count :	0	Electric dipole moment :	2.606
XLogP :	4.582	VDW volume :	256.52062
Molecular weight :	220.182715	HOMO-LUMO gap :	9.908000

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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