Basic information
- CAS
6624-05-1- Standard SMILES
CCCCCCCCCC1OC(CCCCCCCCC)OC(CCCCCCCCC)O1- InChIKey
FJDKHMPCIIRUHO-UHFFFAOYSA-N- Molecular formula
- C30H60O3
- Average molar mass
- 468.8 g/mol
- Monoisotopic mass
- 468.45424577
Names & identifiers
- Preferred name
- 2,4,6-Trinonyl-1,3,5-trioxane
- IUPAC
- 2,4,6-tri(nonyl)-1,3,5-trioxane
Names & synonyms
2,4,6-Trinonyl-1,3,5-trioxane6624-05-1HJI1J53ZOXUNII-HJI1J53ZOXNSC 55219NSC-55219DTXSID102164382,4,6-TRINONYL-S-TRIOXANE1,3,5-Trioxane, 2,4,6-trinonyl-S-TRIOXANE, 2,4,6-TRINONYL-RefChem:82169DTXCID10138929
Show more names
NSC552192,4,6-tri(nonyl)-1,3,5-trioxane
Database identifiers
- CAS
6624-05-1- PubChem CID
- 244352
- DTXSID
DTXSID10216438- UNII
- HJI1J53ZOX
- Nikkaji
- J1.810.097E
Properties
Computed structural properties
- XLogP
- 13.5
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 24
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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