2,4,6-Tritridecyl-1,3,5-trioxane
Basic information
- CAS
6624-07-3- Standard SMILES
CCCCCCCCCCCCCC1OC(CCCCCCCCCCCCC)OC(CCCCCCCCCCCCC)O1- InChIKey
ZEOXMWAXWXITAB-UHFFFAOYSA-N- Molecular formula
- C42H84O3
- Average molar mass
- 637.1 g/mol
- Monoisotopic mass
- 636.64204654
Names & identifiers
- Preferred name
- 2,4,6-Tritridecyl-1,3,5-trioxane
- IUPAC
- 2,4,6-tri(tridecyl)-1,3,5-trioxane
Names & synonyms
6624-07-32,4,6-tritridecyl-1,3,5-trioxaneNSC55221DTXSID20288308NSC-55221
Database identifiers
- CAS
6624-07-3- PubChem CID
- 244353
- DTXSID
DTXSID20288308
Properties
Computed structural properties
- XLogP
- 20
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 36
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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