Basic information
- Standard SMILES
CC1(O)CC(=O)OC(/C=C/c2c(Cl)cccc2Cl)C1- InChIKey
KDBJQSGIZQURKS-AATRIKPKSA-N- Molecular formula
- C14H14Cl2O3
- Average molar mass
- 301.2 g/mol
- Monoisotopic mass
- 300.0319997
Names & identifiers
- Preferred name
- (E)-6-[2-(2,6-Dichlorophenyl)ethenyl]-3,4,5,6-tetrahydro-4-hydroxy-4-methyl-2H-pyran-2-one
- IUPAC
- 6-[(E)-2-(2,6-dichlorophenyl)ethenyl]-4-hydroxy-4-methyloxan-2-one
Names & synonyms
SCHEMBL10738381KDBJQSGIZQURKS-AATRIKPKSA-N(E)-6-[2-(2,6-Dichlorophenyl)ethenyl]-3,4,5,6-tetrahydro-4-hydroxy-4-methyl-2H-pyran-2-one
Database identifiers
- PubChem CID
- 13344976
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
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