Tocopheronolactone structure

Tocopheronolactone

2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione

Also Known As: Tocopheronolactone|alpha-Tocopheronolactone|.ALPHA.-TOCOPHERONOLACTONE|2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione|2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(2-(tetrahydro-2-methyl-5-oxo-2-furanyl)ethyl)- (VAN)|2,3,5-trimethyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)ethyl)cyclohexa-2,5-diene-1,4-dione|2,3,5-TRIMETHYL-6-(5'-CARBOXY-3'-HYDROXY-3'-METHYLPENTYL)-1,4-BENZOQUINONE LACTONE|2,5-CYCLOHEXADIENE-1,4-DIONE, 2,3,5-TRIMETHYL-6-(2-(TETRAHYDRO-2-METHYL-5-OXO-2-FURANYL)ETHYL)-

CAS: 3121-68-4
Molecular Formula C16H20O4
Molecular Weight 276.13617 g/mol
LogP 2.667
Topological Polar Surface Area 60.44 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 276.13617
Monoisotopic Mass 276.13617
Heavy Atoms 20
Complexity 565.02594

Chemical Identifiers

CAS Number 3121-68-4
SMILES CC1=C(C(=O)C(=C(C1=O)C)CCC2(CCC(=O)O2)C)C

Product Overview

Tocopheronolactone (CAS 3121-68-4), with molecular formula C16H20O4 and molecular weight 276.13617 g/mol. IUPAC: 2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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