Basic information
- CAS
112596-79-9- Standard SMILES
CCCCCCC1C=COCO1- InChIKey
RUYPCRGOWSGQJE-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 4-Hexyl-2H,4H-1,3-dioxine
- IUPAC
- 4-hexyl-4H-1,3-dioxine
Names & synonyms
112596-79-94-Hexyl-2H,4H-1,3-dioxineDTXSID00553965
Database identifiers
- CAS
112596-79-9- PubChem CID
- 13998917
- DTXSID
DTXSID00553965
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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