Basic information
- CAS
60046-49-3- Standard SMILES
C[C@@H]1CC(=O)CC(C)(C)C1=O- InChIKey
HVHHZSFNAYSPSA-ZCFIWIBFSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Overview
Levodione is a member of the class of cyclohexanones that is cyclohexane-1,4-dionecarrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the R-enantiomer). It has a role as a bacterial metabolite. It is functionally related to a cyclohexane-1,4-dione.
Names & identifiers
- Preferred name
- Levodione
- IUPAC
- (6R)-2,2,6-trimethylcyclohexane-1,4-dione
- English name
- 2,2,6-Trimethyl-1,4-cyclohexandion
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
Levodione60046-49-3dihydrooxoisophorone(6r)-2,2,6-trimethylcyclohexane-1,4-dione(R)-2,2,6-TRIMETHYL-1,4-CYCLOHEXANEDIONECHEBI:86400DTXSID601335381DOIP CPDRefChem:153198DTXCID201765138(6R)-Levodione(6r)-2,2,6-trimethyl-1,4-cyclohexanedione
Show more names
2,2,6-Trimethyl-1,4-cyclohexandion1,4-Cyclohexanedione, 2,2,6-trimethyl-, (6R)-
(r)-2,2,6-trimethylcyclohexane-1,4-dione(-)-(6R)-2,2,6-trimethyl-1,4-cyclohexandione[6R]-2,2,6-trimethyl-1,4-cyclohexanedioneLevodione; (6R)-2,2,6-Trimethyl-1,4-cyclohexanedione; (-)-(6R)-2,2,6-Trimethyl-1,4-cyclohexanedione; (6R)-2,2,6-Trimethylcyclohexane-1,4-dione; (R)-2,2,6-Trimethyl-1,4-cyclohexanedione;SCHEMBL774113HVHHZSFNAYSPSA-ZCFIWIBFSA-NDB-235234Q27159134
Database identifiers
- CAS
60046-49-3- PubChem CID
- 10176229
- DTXSID
DTXSID601335381- ChEBI
CHEBI:86400- Nikkaji
- J946.010A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 91 · 91-92 °C
- Boiling point
- 236.406 · 236.406±33.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Dichloromethane; Methanol; Ethyl Acetate;
- form
- Solid
- color
- Off-white
Chemistry & industry
Applications
Uses(6R)-Levodione is an intermediate used in the synthesis of Xanthoxin (X742550), which is a growth inhibitor in plants.
Upstream & downstream products
Downstream products
Suppliers5 total
宁波振岳医药科技有限公司19817745290 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Additional notes
DefinitionChEBI: Levodione is a member of the class of cyclohexanones that is cyclohexane-1,4-dionecarrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the R-enantiomer). It has a role as a bacterial metabolite. It is functionally related to a cyclohexane-1,4-dione.
Related reactions
7 records
Compound notes
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