5-Hexyl-2-(1-methylethyl)-1,3-dioxane
Basic information
- CAS
21398-99-2- Standard SMILES
CCCCCCC1COC(C(C)C)OC1- InChIKey
LIRCZIKSRNGLAW-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- 5-Hexyl-2-(1-methylethyl)-1,3-dioxane
- IUPAC
- 5-hexyl-2-propan-2-yl-1,3-dioxane
- English name
- 5α-Hexyl-2α-isopropyl-1,3-dioxane
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34
Names & synonyms
21398-99-2RefChem:10729565-Hexyl-2-(1-methylethyl)-1,3-dioxanetrans-5-Hexyl-2-isopropyl-1,3-dioxane22645-35-822645-34-7m-DIOXANE, 5-HEXYL-2-ISOPROPYL-, (Z)-cis-5-Hexyl-2-isopropyl-1,3-dioxanem-DIOXANE, 5-HEXYL-2-ISOPROPYL-, (E)-5alpha-Hexyl-2alpha-isopropyl-1,3-dioxaneDTXSID509453165-Hexyl-2-(propan-2-yl)-1,3-dioxane
Show more names
5α-Hexyl-2α-isopropyl-1,3-dioxane
Database identifiers
- CAS
21398-99-2、22645-34-7、22645-35-8- PubChem CID
- 31466
- DTXSID
DTXSID50945316- Nikkaji
- J73.738K、J73.739I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 259.029 · 259.029±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.878 · 0.878±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…