4,4-Diphenyl-2-propyl-1,3-oxathiolan-5-one
Basic information
- CAS
31061-70-8- Standard SMILES
CCCC1OC(=O)C(c2ccccc2)(c2ccccc2)S1- InChIKey
MDLIGFFCJHLROW-UHFFFAOYSA-N- Molecular formula
- C18H18O2S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.10275099
Names & identifiers
- Preferred name
- 4,4-Diphenyl-2-propyl-1,3-oxathiolan-5-one
- IUPAC
- 4,4-diphenyl-2-propyl-1,3-oxathiolan-5-one
- English name
- 4,4-Diphenyl-2-propyl-1,3-oxathiolan-5-one
- Molecular formula
- C18H18O2S
- Molecular weight
- 298.4
Names & synonyms
4,4-Diphenyl-2-propyl-1,3-oxathiolan-5-one31061-70-8RefChem:2850681,3-Oxathiolan-5-one, 4,4-diphenyl-2-propyl-MDLIGFFCJHLROW-UHFFFAOYSA-NDTXSID3012654984,4-Diphenyl-2-propyl-1,3-oxathiolan-5-one #
Database identifiers
- CAS
31061-70-8- PubChem CID
- 596985
- DTXSID
DTXSID301265498- Nikkaji
- J119.310D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 477.8 · 477.8±45.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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