Iridomirmecina
Basic information
- CAS
1127-68-0- Standard SMILES
CC1CCC2C(C)C(=O)OCC12- InChIKey
LYEFRAMOOLOUKA-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
See also: Iridomyrmecin (annotation moved to).
Names & identifiers
- Preferred name
- Iridomirmecina
- IUPAC
- 4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
Names & synonyms
IridomirmecinaNSC74961127-68-04,7-Dimethylhexahydrocyclopenta[c]pyran-3(1H)-one #Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-SCHEMBL1649440Cyclopentaneacetic acid derivativeDTXSID50866739LYEFRAMOOLOUKA-UHFFFAOYSA-NCyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-, (4.alpha.,4a.beta.,7.beta.,7a.beta.)-(-)-Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-, [4S-(4.alpha.,4a.beta.,7.beta.,7a.beta.)]-CYCLOPENTANEACETIC ACID DERIV
Show more names
NSC-7496NSC10974NSC98638NSC-98638Cyclopenta[c]pyran-3(1H)-one,7-dimethyl-4,7-Dimethylhexahydrocyclopenta[c]pyran-3(1H)-onehexahydro-4,7-dimethylcyclopenta[c]pyran-3(1h)-oneCyclopenta[c]pyran-3(1H)-one,7-dimethyl-, (4.alpha.,4a.beta.,7.beta.,7a.beta.)-(-)-
Database identifiers
- CAS
1127-68-0、485-43-8- PubChem CID
- 95453
- DTXSID
DTXSID50866739
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
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Related reactions
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Compound notes
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