Basic information
- CAS
19476-87-0- Standard SMILES
COCC1(C)COC(C)OC1- InChIKey
VWPPOYZNPCNBMV-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 5-(Methoxymethyl)-2,5-dimethyl-1,3-dioxane
- IUPAC
- 5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane
- English name
- 5β-(Methoxymethyl)-2β,5α-dimethyl-1,3-dioxane
- Molecular formula
- C8H16O3
- Molecular weight
- 160.21
Names & synonyms
5-(methoxymethyl)-2,5-dimethyl-1,3-dioxane19476-87-0DTXSID00941227RefChem:1072564DTXCID301369670BRN 130517019476-88-15-19-02-00384 (Beilstein Handbook Reference)cis-2,5-Dimethyl-5-methoxymethyl-1,3-dioxanetrans-2,5-Dimethyl-5-methoxymethyl-1,3-dioxane5beta-(Methoxymethyl)-2beta,5alpha-dimethyl-1,3-dioxanem-DIOXANE, 5-(METHOXYMETHYL)-2,5-DIMETHYL-, (E)
Show more names
5β-(Methoxymethyl)-2β,5α-dimethyl-1,3-dioxane
m-DIOXANE, 5-(METHOXYMETHYL)-2,5-DIMETHYL-, (Z)-
Database identifiers
- CAS
19476-87-0、19476-88-1- PubChem CID
- 29629
- DTXSID
DTXSID00941227- Nikkaji
- J73.769K、J73.770D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 183.069 · 183.069±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.938 · 0.938±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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