Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
tri(octanoyl)azanium
HCID
178443845
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CCCCCCCC(=O)[NH+](C(=O)CCCCCCC)C(=O)CCCCCCC
InChIKey
OPYXPQKNKFDLAO-UHFFFAOYSA-O
Molecular formula
C24H46NO3+
Average molar mass
396.6 g/mol
Monoisotopic mass
396.34776933
Names & identifiers
IUPAC
tri(octanoyl)azanium
Database identifiers
PubChem CID
154248629
Properties
Computed structural properties
XLogP
8.3
Topological polar surface area
55.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
18
Heavy atoms
28
Formal charge
1
Complexity
358
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
961203
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
Loading…