Sedanenolide

ScientificNameLabel

Sedanenolide
PHCD compound ID :	4767
Chemical Names :	Sedanenolide
Molecular Formula :	C12H16O2
Molecular Weight :	192.11503

More Details :

Names & Synonyms:	3-butyl-4,5-dihydro-3H-isobenzofuran-1-one , 3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
Smiles:	CCCC[C@H]1OC(=O)C2=C1CCC=C2
InChi :	InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3/t11-/m1/s1
InChi Key :	InChIKey=ZPIKVDODKLJKIN-LLVKDONJSA-N
PubChem ID :	173843

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.331577
Hydrogen bond donor count :	0	Electric dipole moment :	5.813
XLogP :	2.799	VDW volume :	201.066434
Molecular weight :	192.11503	HOMO-LUMO gap :	8.715000

Herb list :

- Kelussia odoratissima - کلوس

Refrences & Litretures:


758. Journal:'Chemistry of Natural Compounds' Year:'2010' Volume:'46' Page:'813' DOI:'10.1007/s10600-010-9754-7' Title:'CHEMICAL CHARACTERISTICS OF THE SEED OF IRANIAN ENDEMIC PLANT Kelussia odoratissima'

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