Cis-hexahydro-8a-methyl1,8-[2H,8H]-naphthalenedione

ScientificNameLabel

Cis-hexahydro-8a-methyl1,8-[2H,8H]-naphthalenedione
PHCD compound ID :	2484
Chemical Names :	Cis-hexahydro-8a-methyl1,8-[2H,8H]-naphthalenedione
Molecular Formula :	C11H16O2
Molecular Weight :	180.11503

More Details :

Names & Synonyms:	8a-methyldecalin-1,8-dione , 8a-methyl-3,4,4a,5,6,7-hexahydro-2H-naphthalene-1,8-dione , 8a-methyldecalin-1,8-quinone
Smiles:	O=C1CCC[C@H]2[C@]1(C)C(=O)CCC2
InChi :	InChI=1S/C11H16O2/c1-11-8(4-2-6-9(11)12)5-3-7-10(11)13/h8H,2-7H2,1H3/t8-,11+
InChi Key :	InChIKey=MGLDBQWFQLBHHH-DKTWLAJQSA-N
PubChem ID :	580218

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.750222
Hydrogen bond donor count :	0	Electric dipole moment :	4.995
XLogP :	1.478	VDW volume :	186.406908
Molecular weight :	180.11503	HOMO-LUMO gap :	10.454000

Herb list :

Henna - Lawsonia inermis - حنا

Refrences & Litretures:


287. Journal:'Orient. J. Chem' Year:'2013' Volume:'29' Page:'1129' DOI:'10.13005/ojc/290339' Title:'Chemical Investigation of Lawsonia inermis L. Leaves from Afar Region, Ethiopia'

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