2-Hexyl-5-methyl-5-propyl-1,3-dioxane
Basic information
- CAS
7081-83-6- Standard SMILES
CCCCCCC1OCC(C)(CCC)CO1- InChIKey
OWXIHERLFLAGCP-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- 2-Hexyl-5-methyl-5-propyl-1,3-dioxane
- IUPAC
- 2-hexyl-5-methyl-5-propyl-1,3-dioxane
- English name
- 2-hexyl-5-methyl-5-propyl-1,3-dioxane
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37092
Names & synonyms
2-Hexyl-5-methyl-5-propyl-1,3-dioxane7081-83-6EINECS 230-380-5AI3-319481,3-Dioxane, 2-hexyl-5-methyl-5-propyl-DTXSID80221074NSC 41980RefChem:87305DTXCID80143565230-380-5NSC41980OWXIHERLFLAGCP-UHFFFAOYSA-N
Show more names
NSC-41980NS00037114
Database identifiers
- CAS
7081-83-6- PubChem CID
- 95889
- DTXSID
DTXSID80221074- EC Number
- 230-380-5
- Nikkaji
- J227.370E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 172
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,3-Dioxane, 2-hexyl-5-methyl-5-propyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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