Basic information
- CAS
19145-91-6- Standard SMILES
CC1CC(C)OC(C)O1- InChIKey
OQGOSNRNRKMTEX-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 2,4,6-Trimethyl-1,3-dioxane
- IUPAC
- 2,4,6-trimethyl-1,3-dioxane
- English name
- 2,4,6-trimethyl-1,3-dioxane
- Molecular formula
- C7H14O2
- Molecular weight
- 130.19
Names & synonyms
2,4,6-Trimethyl-1,3-dioxane19145-91-6m-Dioxane, 2,4,6-trimethyl-, cis-2,4,cis-2,6-1,3-Dioxane, 2,4,6-trimethyl-, (2.alpha.,4.alpha.,6.alpha.)-1,3-Dioxane, 2,4,6-trimethyl-, (2alpha,4alpha,6alpha)-SCHEMBL1936840SCHEMBL19368411,3-Dioxane,2,4,6-trimethyl-, (2alpha,4alpha,6beta)-DTXSID20940777OQGOSNRNRKMTEX-UHFFFAOYSA-N2,4,6-Trimethyl-1,3-dioxane #cis-2,4,6-Trimethyl-1,3-Dioxane
Show more names
2α,4α,5α-Trimethyl-1,3-dioxane1,3-Dioxane, 2,4,6-trimethyl-, (4R,6S)-rel-
36402-73-0cis-2-R-4-trans-6-Trimethyl-1,3-dioxane(2.alpha.,4.alpha.,6.alpha.)-2,4,6-Trimethyl-1,3-dioxane1,3-Dioxane,2,4,6-trimethyl-,(2.alpha.,4.alpha.,6.beta.)-
Database identifiers
- CAS
19145-91-6、36402-73-0- PubChem CID
- 140482
- DTXSID
DTXSID20940777
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 82.9
Physicochemical properties
- Boiling point
- 144.2 · 144.2±8.0 °C(Predicted)
- Density
- 0.876 · 0.876±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…