5-Butyl-5-ethyl-2-nonyl-1,3-dioxane
Basic information
- CAS
5695-69-2- Standard SMILES
CCCCCCCCCC1OCC(CC)(CCCC)CO1- InChIKey
IFFVVKIDRYJZCI-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Names & identifiers
- Preferred name
- 5-Butyl-5-ethyl-2-nonyl-1,3-dioxane
- IUPAC
- 5-butyl-5-ethyl-2-nonyl-1,3-dioxane
Names & synonyms
5695-69-25-butyl-5-ethyl-2-nonyl-1,3-dioxaneNSC41999DTXSID60285457NSC-41999
Database identifiers
- CAS
5695-69-2- PubChem CID
- 237909
- DTXSID
DTXSID60285457
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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