m-DIOXANE, 5-(2-METHOXYETHYL)-2,5-DIMETHYL-, (Z)-
Basic information
- CAS
22644-75-3- Standard SMILES
COCCC1(C)COC(C)OC1- InChIKey
YWTLZQSAPNSTOL-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Names & identifiers
- Preferred name
- m-DIOXANE, 5-(2-METHOXYETHYL)-2,5-DIMETHYL-, (Z)-
- IUPAC
- 5-(2-methoxyethyl)-2,5-dimethyl-1,3-dioxane
- English name
- 5β-(2-Methoxyethyl)-2β,5α-dimethyl-1,3-dioxane
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
m-DIOXANE, 5-(2-METHOXYETHYL)-2,5-DIMETHYL-, (Z)-22644-75-322644-76-45-(2-methoxyethyl)-2,5-dimethyl-1,3-dioxanecis-5-(2-Methoxyethyl)-2,5-dimethyl-1,3-dioxanetrans-2,5-Dimethyl-5-(2-methoxyethyl)-1,3-dioxanem-DIOXANE, 5-(2-METHOXYETHYL)-2,5-DIMETHYL-, (E)-5alpha-(2-Methoxyethyl)-2beta,5beta-dimethyl-1,3-dioxaneDTXSID801771885β-(2-Methoxyethyl)-2β,5α-dimethyl-1,3-dioxane1,3-Dioxane, 5-(2-methoxyethyl)-2,5-dimethyl-, cis-
Database identifiers
- CAS
22644-75-3、22644-76-4- PubChem CID
- 31460
- DTXSID
DTXSID80177188- Nikkaji
- J73.767D、J73.768B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 204.568 · 204.568±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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