3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-
Basic information
- CAS
75776-35-1- Standard SMILES
CCCCCCCCCCCCCCCCCC1=CC(NCCCCC)=CC(=O)C1=O- InChIKey
HSVBBCAOVOWXMK-UHFFFAOYSA-N- Molecular formula
- C28H49NO2
- Average molar mass
- 431.7 g/mol
- Monoisotopic mass
- 431.37632981
Names & identifiers
- Preferred name
- 3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-
- IUPAC
- 3-heptadecyl-5-(pentylamino)cyclohexa-3,5-diene-1,2-dione
Names & synonyms
3,5-Cyclohexadiene-1,2-dione, 3-heptadecyl-5-(pentylamino)-75776-35-13-heptadecyl-5-(pentylamino)cyclohexa-3,5-diene-1,2-dioneDTXSID80226680
Database identifiers
- CAS
75776-35-1- PubChem CID
- 188191
- DTXSID
DTXSID80226680
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…