Basic information
- Standard SMILES
CCCC(C)=O.OCC(O)CO- InChIKey
JWQNPBVSDJHOBD-UHFFFAOYSA-N- Molecular formula
- C8H18O4
- Average molar mass
- 178.23 g/mol
Names & identifiers
- Preferred name
- 2-Pentanone Glycerol
- IUPAC
- pentan-2-one;propane-1,2,3-triol
Names & synonyms
2-Pentanone GlycerolJWQNPBVSDJHOBD-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86639488
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 73.1
Related reactions
1 records
Compound notes
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