Avarone
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C21H28O2 |
|---|---|
| Molecular Weight | 312.4 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 34.1 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.20892 |
| Heavy Atoms | 23 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 55303-99-6 |
|---|---|
| SMILES | CC1CCC2(C(C1(C)CC3=CC(=O)C=CC3=O)CCC=C2C)C |
| InChIKey | VPRHEJGLNUDEEH-LWILDLIXSA-N |
📖 Product Overview
Avarone (CAS: 55303-99-6) is a chemical compound with molecular formula C21H28O2 and molecular weight 312.4 g/mol. Its IUPAC systematic name is 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]cyclohexa-2,5-diene-1,4-dione.
VPRHEJGLNUDEEH-LWILDLIXSA-N.
SMILES: CC1CCC2(C(C1(C)CC3=CC(=O)C=CC3=O)CCC=C2C)C.
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