Basic information
- CAS
40342-55-0- Standard SMILES
CCC(=O)CC(=O)CC(OC)OC- InChIKey
FRYPZAZCOMELIZ-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- 1,1-Dimethoxyheptane-3,5-dione
- IUPAC
- 1,1-dimethoxyheptane-3,5-dione
Names & synonyms
1,1-Dimethoxyheptane-3,5-dione40342-55-0DTXSID60494885FRYPZAZCOMELIZ-UHFFFAOYSA-N
Database identifiers
- CAS
40342-55-0- PubChem CID
- 12371852
- DTXSID
DTXSID60494885- Nikkaji
- J24.166K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…