Basic information
- CAS
17663-27-3- Standard SMILES
CC(=O)CC(C)(C)C(C)(C)CC(C)=O- InChIKey
GTRYXHORFPEEMD-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 4,4,5,5-Tetramethyl-2,7-octanedione
- IUPAC
- 4,4,5,5-tetramethyloctane-2,7-dione
- English name
- 4,4,5,5-Tetramethyl-2,7-octanedione
- Molecular weight
- 0
Names & synonyms
4,4,5,5-TETRAMETHYL-2,7-OCTANEDIONE17663-27-32,7-Octanedione, 4,4,5,5-tetramethyl-DTXSID50170166RefChem:96319DTXCID6092657GTRYXHORFPEEMD-UHFFFAOYSA-N4,4,5,5-tetramethyloctane-2,7-dione
Database identifiers
- CAS
17663-27-3- PubChem CID
- 28679
- DTXSID
DTXSID50170166- Nikkaji
- J102.260A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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