5,5-Diethyl-2-nonyl-1,3-dioxane
Basic information
- CAS
5000-02-2- Standard SMILES
CCCCCCCCCC1OCC(CC)(CC)CO1- InChIKey
JLVQUUWADGDOEL-UHFFFAOYSA-N- Molecular formula
- C17H34O2
- Average molar mass
- 270.5 g/mol
- Monoisotopic mass
- 270.25588032
Names & identifiers
- Preferred name
- 5,5-Diethyl-2-nonyl-1,3-dioxane
- IUPAC
- 5,5-diethyl-2-nonyl-1,3-dioxane
Names & synonyms
5000-02-25,5-diethyl-2-nonyl-1,3-dioxaneNSC41997DTXSID00285456NSC-41997
Database identifiers
- CAS
5000-02-2- PubChem CID
- 237907
- DTXSID
DTXSID00285456
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 201
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Related reactions
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Compound notes
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