Basic information
- CAS
3565-77-3- Standard SMILES
CCCCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)C1=O- InChIKey
IPVKEGILLRDHRN-UHFFFAOYSA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-3-tridecyl-[1,4]benzoquinone
- IUPAC
- 2,5-dimethoxy-3-tridecylcyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-dimethoxy-3-tridecyl-cyclohexa-2,5-diene-1,4-dione
- Molecular formula
- C21H34O4
- Molecular weight
- 0
Names & synonyms
3565-77-32,5-Dimethoxy-3-tridecyl-[1,4]benzoquinoneCHEMBL34163482,5-Cyclohexadiene-1,4-dione, 2,5-dimethoxy-3-tridecyl-2,5-dimethoxy-3-tridecylcyclohexa-2,5-diene-1,4-dione2,5-Dimethoxy-3-tridecyl-2,5-cyclohexadiene-1,4-dionestarbld0000290SCHEMBL9578821DTXSID10189158BDBM500788672,5-dimethoxy-3-tridecyl-cyclohexa-2,5-diene-1,4-dione
Database identifiers
- CAS
3565-77-3- PubChem CID
- 145696
- DTXSID
DTXSID10189158- ChEMBL
CHEMBL3416348
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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