Basic information
- CAS
77228-15-0- Standard SMILES
CC(=O)CC1C(=O)OC(C)(C)OC1=O- InChIKey
KIYLGKVYVNOCOB-UHFFFAOYSA-N- Molecular formula
- C9H12O5
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.06847348
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-(2-oxopropyl)-1,3-dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-(2-oxopropyl)-1,3-dioxane-4,6-dione
Names & synonyms
2,2-dimethyl-5-(2-oxopropyl)-1,3-dioxane-4,6-dione77228-15-0NSC365788DTXSID40320875NSC-365788DS-003472
Database identifiers
- CAS
77228-15-0- PubChem CID
- 339381
- DTXSID
DTXSID40320875
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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