Basic information
- CAS
91050-82-7- Standard SMILES
CCC(=O)OCC(COC(=O)CC)(COC(=O)CC)COC(=O)CC- InChIKey
PGPMOHVQAHACIX-UHFFFAOYSA-N- Molecular formula
- C17H28O8
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.17841785
Names & identifiers
- Preferred name
- Pentaerythritol tetrapropionate
- IUPAC
- [3-propanoyloxy-2,2-bis(propanoyloxymethyl)propyl] propanoate
Names & synonyms
Pentaerythritol tetrapropionateSCHEMBL1326486PGPMOHVQAHACIX-UHFFFAOYSA-N
Database identifiers
- CAS
91050-82-7- PubChem CID
- 13628809
- DTXSID
DTXSID001069681- Nikkaji
- J106.164J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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