Basic information
- CAS
31061-73-1- Standard SMILES
CCCC1(CCC)OC(=O)C(c2ccccc2)(c2ccccc2)S1- InChIKey
GQMIODAXLRIVKU-UHFFFAOYSA-N- Molecular formula
- C21H24O2S
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.14970118
Names & identifiers
- Preferred name
- 4,4-Diphenyl-2,2-dipropyl-1,3-oxathiolan-5-one
- IUPAC
- 4,4-diphenyl-2,2-dipropyl-1,3-oxathiolan-5-one
- English name
- 4,4-Diphenyl-2,2-dipropyl-1,3-oxathiolan-5-one
- Molecular formula
- C21H24O2S
- Molecular weight
- 340.48
Names & synonyms
4,4-Diphenyl-2,2-dipropyl-1,3-oxathiolan-5-oneDTXSID8034588031061-73-1RefChem:285066DTXCID702969531,3-Oxathiolan-5-one, 4,4-diphenyl-2,2-dipropyl-GQMIODAXLRIVKU-UHFFFAOYSA-N4,4-Diphenyl-2,2-dipropyl-1,3-oxathiolan-5-one #
Database identifiers
- CAS
31061-73-1- PubChem CID
- 607754
- DTXSID
DTXSID80345880- Nikkaji
- J119.307D
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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