1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-
[3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] acetate
Also Known As: lapachol acetate|2-acetyllapachol|KST-1B5859|1,4-naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-|J1.529.130C|[3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] acetate|2-Acetoxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone|3-(3-Methylbut-2-en-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate|[3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthyl] acetate|2-(Acetoxy)-3-(3-methyl-2-butenyl)-1,4-naphthoquinone|3-(3-Methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl acetate|1,4-Naphthalenedione,2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)-
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10486 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.10486 |
| Monoisotopic Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 5809-25-6 |
|---|---|
| SMILES | CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C)C |
| InChIKey | HSWNEIKWRXLNCH-UHFFFAOYSA-N |
Product Overview
1,4-Naphthalenedione, 2-(acetyloxy)-3-(3-methyl-2-buten-1-yl)- (CAS 5809-25-6), with molecular formula C17H16O4 and molecular weight 284.10486 g/mol. IUPAC: [3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] acetate.