Basic information
- CAS
523-90-0- Standard SMILES
CCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O- InChIKey
UFFHNXJFDUUVLB-UHFFFAOYSA-N- Molecular formula
- C18H28O4
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.19875937
Names & identifiers
- Preferred name
- 3-Dodecyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 3-dodecyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
CHEMBL34161643-dodecyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dioneNSC56326523-90-0DTXSID90275780BDBM50078849NSC-56326
Database identifiers
- CAS
523-90-0、5338-91-0- PubChem CID
- 80074
- DTXSID
DTXSID90275780- ChEMBL
CHEMBL3416164- Nikkaji
- J365.201G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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