2,5-Bis(dodecylamino)-3-ethoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Basic information
- CAS
71376-43-7- Standard SMILES
CCCCCCCCCCCCNC1=C(C)C(=O)C(NCCCCCCCCCCCC)=C(OCC)C1=O- InChIKey
HWVIVEDDSUGMON-UHFFFAOYSA-N- Molecular formula
- C33H60N2O3
- Average molar mass
- 532.8 g/mol
- Monoisotopic mass
- 532.46039378
Names & identifiers
- Preferred name
- 2,5-Bis(dodecylamino)-3-ethoxy-6-methylcyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,5-bis(dodecylamino)-3-ethoxy-6-methylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
71376-43-7NSC2742322,5-bis(dodecylamino)-3-ethoxy-6-methylcyclohexa-2,5-diene-1,4-dioneDTXSID60313663NSC-274232
Database identifiers
- CAS
71376-43-7- PubChem CID
- 321647
- DTXSID
DTXSID60313663
Properties
Computed structural properties
- XLogP
- 12.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 26
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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