Basic information
- CAS
69289-32-3- Standard SMILES
C=C1CC=CC23COC(C(C(C)C)CC2=O)C13- InChIKey
TYWRMTYJLKIUFN-UHFFFAOYSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- 1,2,3,7,8,8a-Hexahydro-8-methylene-2-(1-methylethyl)-4H-1,4a-(epoxymethano)naphthalen-4-one
- IUPAC
- 5-methylidene-8-propan-2-yl-12-oxatricyclo[5.3.2.01,6]dodec-2-en-10-one
- English name
- Periplanone A
- Molecular weight
- 0
Names & synonyms
69289-32-3Isoperiplanone A1,2,3,7,8,8a-Hexahydro-8-methylene-2-(1-methylethyl)-4H-1,4a-(epoxymethano)naphthalen-4-oneDTXSID50989013TYWRMTYJLKIUFN-UHFFFAOYSA-N4H-1,4a-(Epoxymethano)naphthalen-4-one, 1,2,3,7,8,8a-hexahydro-8-methylene-2-(1-methylethyl)-, (1S,2S,4aR,8aS)-8-methylidene-2-(propan-2-yl)-1,2,3,7,8,8a-hexahydro-4H-1,4a-(epoxymethano)naphthalen-4-onePeriplanone A(3R)-6-(1-Methylethyl)-9-methylene-1-oxaspiro[2.9]dodeca-7,11-dien-4-one
Database identifiers
- CAS
69289-32-3- PubChem CID
- 155282
- DTXSID
DTXSID50989013- Nikkaji
- J526.423E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- FDA UNII
- 2 O02510OH3 · 2O02510OH3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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