Basic information
- CAS
22645-32-5- Standard SMILES
CCCCCCC1COC(C)OC1- InChIKey
MKNCTCDWCSUWIM-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- 5-Hexyl-2-methyl-1,3-dioxane
- IUPAC
- 5-hexyl-2-methyl-1,3-dioxane
- English name
- 5β-Hexyl-2α-methyl-1,3-dioxane
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
5-hexyl-2-methyl-1,3-dioxaneDTXSID90945315RefChem:1072957DTXCID301373635cis-5-Hexyl-2-methyl-1,3-dioxanem-DIOXANE, 5-HEXYL-2-METHYL-, (Z)-22645-32-5trans-5-Hexyl-2-methyl-5-hexyl-1,3-dioxanem-DIOXANE, 5-HEXYL-2-METHYL-, (E)-22645-33-65beta-Hexyl-2alpha-methyl-1,3-dioxanecis-2-methyl-5-hexyl-1,3-dioxane
Show more names
5β-Hexyl-2α-methyl-1,3-dioxane
Database identifiers
- CAS
22645-32-5、22645-33-6- PubChem CID
- 31465
- DTXSID
DTXSID90945315- Nikkaji
- J73.740B、J73.741K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 226.233 · 226.233±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
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