2-Decyl-3-hydroxy-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
40502-82-7- Standard SMILES
CCCCCCCCCCC1=C(O)C(=O)C(OC)=C(OC)C1=O- InChIKey
YUNSCNXUXJHZMP-UHFFFAOYSA-N- Molecular formula
- C18H28O5
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.19367399
Names & identifiers
- Preferred name
- 2-Decyl-3-hydroxy-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-decyl-3-hydroxy-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
40502-82-72-decyl-3-hydroxy-5,6-dimethoxycyclohexa-2,5-diene-1,4-dioneNSC268481DTXSID20313285NSC-268481
Database identifiers
- CAS
40502-82-7- PubChem CID
- 320512
- DTXSID
DTXSID20313285
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
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Compound notes
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