2,5,5-Trimethyl-2-nonyl-1,3-dioxane
Basic information
- CAS
6340-97-2- Standard SMILES
CCCCCCCCCC1(C)OCC(C)(C)CO1- InChIKey
CDEGFWZGUKTXTK-UHFFFAOYSA-N- Molecular formula
- C16H32O2
- Average molar mass
- 256.42 g/mol
- Monoisotopic mass
- 256.24023026
Names & identifiers
- Preferred name
- 2,5,5-Trimethyl-2-nonyl-1,3-dioxane
- IUPAC
- 2,5,5-trimethyl-2-nonyl-1,3-dioxane
Names & synonyms
6340-97-22,5,5-trimethyl-2-nonyl-1,3-dioxaneNSC46305DTXSID30286517NSC-46305
Database identifiers
- CAS
6340-97-2- PubChem CID
- 240229
- DTXSID
DTXSID30286517
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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