4-Ethyl-5-hydroxy-2,2-dimethylcyclopent-4-ene-1,3-dione
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Basic information
- CAS
79700-00-8- Standard SMILES
CCC1=C(O)C(=O)C(C)(C)C1=O- InChIKey
RKEPXEBBVWJMQV-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 4-Ethyl-5-hydroxy-2,2-dimethylcyclopent-4-ene-1,3-dione
- IUPAC
- 4-ethyl-5-hydroxy-2,2-dimethylcyclopent-4-ene-1,3-dione
Names & synonyms
79700-00-84-ethyl-5-hydroxy-2,2-dimethylcyclopent-4-ene-1,3-dioneNSC353873DTXSID70320025NSC-353873
Database identifiers
- CAS
79700-00-8- PubChem CID
- 337108
- DTXSID
DTXSID70320025
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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