2,4,6-Tributyl-1,3,5-trioxane
Basic information
- CAS
7510-29-4- Standard SMILES
CCCCC1OC(CCCC)OC(CCCC)O1- InChIKey
VIRDDOWSTFNAKS-UHFFFAOYSA-N- Molecular formula
- C15H30O3
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.21949481
Names & identifiers
- Preferred name
- 2,4,6-Tributyl-1,3,5-trioxane
- IUPAC
- 2,4,6-tributyl-1,3,5-trioxane
Names & synonyms
7510-29-42,4,6-tributyl-1,3,5-trioxaneNSC405652SCHEMBL11264394DTXSID30324069VIRDDOWSTFNAKS-UHFFFAOYSA-NNSC-405652
Database identifiers
- CAS
7510-29-4- PubChem CID
- 347146
- DTXSID
DTXSID30324069- Nikkaji
- J139.719B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 151
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Compound notes
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