Basic information
- CAS
84114-94-3- Standard SMILES
CC(=O)CC(=O)C1CCOC(C)(C)C1- InChIKey
ODXHOTHMHLQRNS-UHFFFAOYSA-N- Molecular formula
- C11H18O3
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.12559443
Names & identifiers
- Preferred name
- 1-(2,2-Dimethyloxan-4-yl)butane-1,3-dione
- IUPAC
- 1-(2,2-dimethyloxan-4-yl)butane-1,3-dione
Names & synonyms
1-(2,2-Dimethyloxan-4-yl)butane-1,3-dione84114-94-3DTXSID20510712
Database identifiers
- CAS
84114-94-3- PubChem CID
- 12822945
- DTXSID
DTXSID20510712
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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