Tocoquinone-1
2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: Tocoquinone-1|2,3,5-Trimethyl-6-(3-methyl-2-butenyl)-p-benzoquinone|2,4-dione, 2,3,5-trimethyl-6-(3-methyl-2-butenyl)-|p-Benzoquinone,3,5-trimethyl-6-(3-methyl-2-butenyl)-|2,3,6-trimethyl-5(3-methyl-2-butenyl)-1,4-benzoquinone|2-(3-methyl-2-butenyl)-3,5,6-trimethyl-1,4-benzoquinone|2,3,5-trimethyl-6-(3-methyl-but-2-enyl)-[1,4]benzoquinone|2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione|2,3,5-TRIMETHYL-6-(3-METHYLBUT-2-EN-1-YL)CYCLOHEXA-2,5-DIENE-1,4-DIONE|2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,|2,3,5-Trimethyl-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1,4-dione
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13068 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.13068 |
| Monoisotopic Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 2134-78-3 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)CC=C(C)C)C |
| InChIKey | QKMDHZQFYAODOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tocoquinone-1 (CAS 2134-78-3), with molecular formula C14H18O2 and molecular weight 218.13068 g/mol. IUPAC: 2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione.
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