Ethyl (1-hydroxy-3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-yl)acetate

HCID 326863

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

Related reactions

4 records

Compound notes

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