Basic information
- Standard SMILES
CCOC(=O)CC1(O)C=C(C)C(=O)C(C)=C1- InChIKey
VQTIEQGEEFBFME-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
Names & identifiers
- Preferred name
- Ethyl (1-hydroxy-3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)acetate
- IUPAC
- ethyl 2-(1-hydroxy-3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)acetate
Names & synonyms
NSC299192SCHEMBL10250061VQTIEQGEEFBFME-UHFFFAOYSA-NNSC-299192ethyl(1-hydroxy-3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)acetateethyl (1-hydroxy-3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)acetate
Database identifiers
- PubChem CID
- 326863
- Nikkaji
- J2.276.859J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
Related reactions
4 records
Compound notes
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