Basic information
- CAS
85418-26-4- Standard SMILES
CC(=O)OCC[C@H](COCc1ccccc1)OC(C)=O- InChIKey
CJGNIHUFVSJJHQ-OAHLLOKOSA-N- Molecular formula
- C15H20O5
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.13107373
Names & identifiers
- Preferred name
- 1,3-Butanediol, 4-(phenylmethoxy)-, diacetate, (R)-
- IUPAC
- [(3R)-3-acetyloxy-4-phenylmethoxybutyl] acetate
Names & synonyms
1,3-Butanediol, 4-(phenylmethoxy)-, diacetate, (R)-85418-26-4RefChem:218158DTXSID001224297(3R)-4-(Benzyloxy)butane-1,3-diyl diacetate
Database identifiers
- CAS
85418-26-4- PubChem CID
- 14246773
- DTXSID
DTXSID001224297
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…