Rotundifolone
(1S,6S)-6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one
Also Known As: Rotundifolone|Piperitenone oxide|Lippione|(+-)-Rotundifolone|cis-Piperitenone epoxide|(+)-Rotundifolone|Piperitenone oxide [FHFI]|(+-)-Piperitenone oxide|FEMA No. 4199|Piperitenone oxide, (+-)-|(+)-PIPERITENONE OXIDE|PIPERITENONE OXIDE, (+)-|(1S,6S)-6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one|7-Oxabicyclo(4.1.0)heptan-2-one, 6-methyl-3-(1-methylethylidene)-, (1S)-|7-Oxabicyclo(4.1.0)heptan-2-one, 6-methyl-3-(1-methylethylidene)-, (1S,6S)-|(1S,6S)-6-methyl-3-(propan-2-ylidene)-7-oxabicyclo[4.1.0]heptan-2-one|(1S,6S)-3-isopropylidene-6-methyl-7-oxabicyclo(4.1.0)heptan-2-one|(1S,6S)-6-methyl-3-propan-2-ylidene-7-oxabicyclo(4.1.0)heptan-2-one|[1S,6S,(+)]-6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptan-2-one|[1S,6S,(+)]-6-Methyl-3-(1-methylethylidene)-7-oxabicyclo[4.1.0]heptane-2-one
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.09938 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.09938 |
| Monoisotopic Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 3564-96-3 |
|---|---|
| SMILES | CC(=C1CC[C@]2([C@@H](C1=O)O2)C)C |
| InChIKey | AKASWINDKIEEBO-ZJUUUORDSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rotundifolone (CAS 3564-96-3), with molecular formula C10H14O2 and molecular weight 166.09938 g/mol. IUPAC: (1S,6S)-6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one.
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