Basic information
- CAS
20633-03-8- Standard SMILES
CC(C)C(=O)C(=O)C(C)(C)C- InChIKey
PDQTXMPRJKIGEI-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2,2,5-Trimethylhexane-3,4-dione
- IUPAC
- 2,2,5-trimethylhexane-3,4-dione
- English name
- 2,2,5-Trimethylhexane-3,4-dione
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
2,2,5-Trimethylhexane-3,4-dione3,4-Hexanedione, 2,2,5-trimethyl-20633-03-8DTXSID90336921RefChem:242948DTXCID60288009PDQTXMPRJKIGEI-UHFFFAOYSA-NSCHEMBL28971402,2,5-trimethylhexane-3,4dione2,2,5-Trimethyl-3,4-hexanedione #
Database identifiers
- CAS
20633-03-8- PubChem CID
- 537264
- DTXSID
DTXSID90336921- Nikkaji
- J100.819F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 177.8 · 177.8±9.0 °C(Predicted)
- Density
- 0.909 · 0.909±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…