5-(2-Ethoxyethyl)-5-methyl-2-(propan-2-yl)-1,3-dioxane
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Basic information
- CAS
22644-79-7- Standard SMILES
CCOCCC1(C)COC(C(C)C)OC1- InChIKey
UUBPWYVITMKKCM-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- 5-(2-Ethoxyethyl)-5-methyl-2-(propan-2-yl)-1,3-dioxane
- IUPAC
- 5-(2-ethoxyethyl)-5-methyl-2-propan-2-yl-1,3-dioxane
- English name
- 5α-(2-Ethoxyethyl)-2β-isopropyl-5β-methyl-1,3-dioxane
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
22644-79-7DTXSID109453125-(2-Ethoxyethyl)-5-methyl-2-(propan-2-yl)-1,3-dioxaneRefChem:1072387DTXCID201373632cis-5-(2-Ethoxyethyl)-2-isopropyl-5-methyl-1,3-dioxanem-DIOXANE, 5-(2-ETHOXYETHYL)-2-ISOPROPYL-5-METHYL-, (E)-trans-5-(2-Ethoxyethyl)-2-isopropyl-5-methyl-1,3-dioxanem-DIOXANE, 5-(2-ETHOXYETHYL)-2-ISOPROPYL-5-METHYL-, (Z)-22644-80-05alpha-(2-Ethoxyethyl)-2beta-isopropyl-5beta-methyl-1,3-dioxane5α-(2-Ethoxyethyl)-2β-isopropyl-5β-methyl-1,3-dioxane
Database identifiers
- CAS
22644-79-7、22644-80-0- PubChem CID
- 31462
- DTXSID
DTXSID10945312- Nikkaji
- J73.730E、J73.731C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 258.486 · 258.486±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.917 · 0.917±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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