Arenarone
2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
Also Known As: Arenarone|2-[(1,2,4a-Trimethyl-5-methylidenedecahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione|2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione|2-{[(1S,4aS,8aR)-1,2,4a-Trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.20892 g/mol |
| LogP | 4.8097 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.20892 |
| Monoisotopic Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 623.7528 |
Chemical Identifiers
| CAS Number | 87764-16-7 |
|---|---|
| SMILES | CC1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C |
Product Overview
Arenarone (CAS 87764-16-7), with molecular formula C21H28O2 and molecular weight 312.20892 g/mol. IUPAC: 2-[[(1S,4aS,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione.
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