Basic information
- Standard SMILES
CC(=O)CC1COCCC1=O- InChIKey
FGKQWWPSXGYEGI-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
Names & identifiers
- Preferred name
- 3-(2-Oxopropyl)tetrahydro-4H-pyran-4-one
- IUPAC
- 3-(2-oxopropyl)oxan-4-one
Names & synonyms
3-(2-OXOPROPYL)TETRAHYDRO-4H-PYRAN-4-ONE1312717-97-7SCHEMBL358873FGKQWWPSXGYEGI-UHFFFAOYSA-NAB849573-(2-oxopropyl)dihydro-2H-pyran-4(3H)-one
Database identifiers
- PubChem CID
- 58310973
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Related reactions
2 records
Compound notes
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