Basic information
- CAS
22644-65-1- Standard SMILES
C=CCC1(C(C)OC)COC(C)OC1- InChIKey
SZZGKCYDGKYICS-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- cis-5-Allyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane
- IUPAC
- 5-(1-methoxyethyl)-2-methyl-5-prop-2-enyl-1,3-dioxane
- English name
- 5α-Allyl-5β-(1-methoxyethyl)-2β-methyl-1,3-dioxane
- Molecular formula
- C11H20O3
- Molecular weight
- 200.28
Names & synonyms
22644-65-1cis-5-Allyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxanetrans-5-Allyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane22644-64-05beta-Allyl-5alpha-(1-methoxyethyl)-2beta-methyl-1,3-dioxane5-Allyl-5-(1-methoxyethyl)-2-methyl-1,3-dioxane16691-17-1starbld0033984m-DIOXANE, 5-ALLYL-5-(1-METHOXYETHYL)-2-METHYL-, (Z)-DTXSID6013841645-(1-methoxyethyl)-2-methyl-5-prop-2-enyl-1,3-dioxanem-Dioxane, 5-allyl-5-(1-methoxyethyl)-2-methyl-, cis- (8CI)
Database identifiers
- CAS
22644-65-1- PubChem CID
- 31455
- DTXSID
DTXSID601384164- Nikkaji
- J69.176C、J69.177A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 235 · 235.0±15.0 °C(Predicted)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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