1-(7,15-Diazadispiro[5.1.5~8~.3~6~]hexadecan-15-yl)docosan-1-one
Basic information
- CAS
51210-32-3- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N1CC2(CCCCC2)NC2(CCCCC2)C1- InChIKey
LMQMQQABQYHOKJ-UHFFFAOYSA-N- Molecular formula
- C36H68N2O
- Average molar mass
- 544.9 g/mol
- Monoisotopic mass
- 544.5331648
Names & identifiers
- Preferred name
- 1-(7,15-Diazadispiro[5.1.5~8~.3~6~]hexadecan-15-yl)docosan-1-one
- IUPAC
- 1-(7,15-diazadispiro[5.1.58.36]hexadecan-15-yl)docosan-1-one
Names & synonyms
51210-32-3SCHEMBL11714146DTXSID206142091-(7,15-Diazadispiro[5.1.5~8~.3~6~]hexadecan-15-yl)docosan-1-one
Database identifiers
- CAS
51210-32-3- PubChem CID
- 21454728
- DTXSID
DTXSID20614209
Properties
Computed structural properties
- XLogP
- 12.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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