Nigellone

4b,8b-dimethyl-3,7-di(propan-2-yl)-4a,8a-dihydrobiphenylene-1,4,5,8-tetrone

Also Known As: Dithymoquinone|Nigellone|4b,8b-dimethyl-3,7-di(propan-2-yl)-4a,8a-dihydrobiphenylene-1,4,5,8-tetrone|2,6-Diisopropyl-4a,8a-dimethylbiphenylene-1,4,5,8(4aH,4bH,8aH,8bH)-tetrone|4a,4b,8a,8b-Tetrahydro-2,6-diisopropyl-4a,8a-dimethylbiphenylene-1,4,5,8-tetraone|4a,4b,8a,8b-Tetrahydro-4abeta,8abeta-dimethyl-2,6-diisopropylbiphenylene-1,4,5,8-tetrone|4a,8a-dimethyl-2,6-bis(1-methylethyl)-4a,4b,8a,8b-tetrahydrobiphenylene-1,4,5,8-tetrone|(4ar,8ar)-4a,8a-dimethyl-2,6-bis(propan-2-yl)-1,4,4a,4b,5,8,8a,8b-octahydrobiphenylene-1,4,5,8-tetrone|4A,8A-DIMETHYL-2,6-BIS(PROPAN-2-YL)-1,4,4A,4B,5,8,8A,8B-OCTAHYDROBIPHENYLENE-1,4,5,8-TETRONE

Molecular Formula	C20H24O4
Molecular Weight	328.16745 g/mol
LogP	2.1
Topological Polar Surface Area	68.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	328.16745
Monoisotopic Mass	328.16745
Heavy Atoms	24
Complexity	684.0

Chemical Identifiers

CAS Number	39461-20-6
SMILES	CC(C)C1=CC(=O)C2(C(C1=O)C3(C2C(=O)C(=CC3=O)C(C)C)C)C
InChIKey	FPRGRROJPRIHJP-UHFFFAOYSA-N