Basic information
- CAS
1703-90-8- Standard SMILES
CCCC(=O)c1c(C)cc(C(C)(C)C)cc1C- InChIKey
AXVCLVJCZWBTJZ-UHFFFAOYSA-N- Molecular formula
- C16H24O
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.18271539
Names & identifiers
- Preferred name
- 4'-tert-Butyl-2',6'-dimethylbutyrophenone
- IUPAC
- 1-(4-tert-butyl-2,6-dimethylphenyl)butan-1-one
- English name
- 4'-tert-butyl-2',6'-dimethylbutyrophenone
- Molecular formula
- C16H24O
- Molecular weight
- 232.36
Names & synonyms
1703-90-81-(4-tert-butyl-2,6-dimethylphenyl)butan-1-one4'-tert-Butyl-2',6'-dimethylbutyrophenoneEINECS 216-939-6BUTYROPHENONE, 4'-TERT-BUTYL-2',6'-DIMETHYL-4/'-Tert-Butyl-2/',6/'-dimethylbutyrophenoneDTXSID90168840NS000255831-(4-tert-Butyl-2,6-dimethylphenyl)-1-butanone #1-Butanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
Database identifiers
- CAS
1703-90-8- PubChem CID
- 74347
- DTXSID
DTXSID90168840- EC Number
- 216-939-6
- Nikkaji
- J104.365J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 128 · 128-130 °C(Press: 2 Torr)
- Density
- 0.917 · 0.917±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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