2-Phenyl-1,3-dioxan-5-yl icosanoate
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Basic information
- CAS
57156-90-8- Standard SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC1COC(c2ccccc2)OC1- InChIKey
PKQIRKZUHHUFAG-UHFFFAOYSA-N- Molecular formula
- C30H50O4
- Average molar mass
- 474.7 g/mol
- Monoisotopic mass
- 474.37091007
Names & identifiers
- Preferred name
- 2-Phenyl-1,3-dioxan-5-yl icosanoate
- IUPAC
- (2-phenyl-1,3-dioxan-5-yl) icosanoate
- English name
- Icosanoic acid 2-phenyl-1,3-dioxan-5-yl ester
- Molecular formula
- C30H50O4
- Molecular weight
- 474.72
Names & synonyms
2-Phenyl-1,3-dioxan-5-yl icosanoateDTXSID5034101157156-90-8RefChem:265149DTXCID30292092Eicosanoic acid, 2-phenyl-1,3-dioxan-5-yl esterPKQIRKZUHHUFAG-UHFFFAOYSA-N2-Phenyl-1,3-dioxan-5-yl icosanoate #Icosanoic acid 2-phenyl-1,3-dioxan-5-yl ester
Database identifiers
- CAS
57156-90-8- PubChem CID
- 569259
- DTXSID
DTXSID50341011- Nikkaji
- J110.849B
Properties
Computed structural propertiesFilling in
- XLogP
- 10.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Boiling point
- 557.3 · 557.3±50.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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