1-[3,5-Bis(1,1-dimethylethyl)phenyl]-1-propanone
Basic information
- CAS
17610-02-5- Standard SMILES
CCC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1- InChIKey
NXHMPVRUKKYVHR-UHFFFAOYSA-N- Molecular formula
- C17H26O
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.19836545
Names & identifiers
- Preferred name
- 1-[3,5-Bis(1,1-dimethylethyl)phenyl]-1-propanone
- IUPAC
- 1-(3,5-ditert-butylphenyl)propan-1-one
Names & synonyms
17610-02-51-[3,5-Bis(1,1-dimethylethyl)phenyl]-1-propanone1-Propanone, 1-[3,5-bis(1,1-dimethylethyl)phenyl]-1-(3,5-ditert-butylphenyl)propan-1-oneMFCD31621306SCHEMBL278573113',5'-Di-tert-butylpropiophenoneDTXSID2012367711-(3,5-Di-tert-butylphenyl)propan-1-oneH72263
Database identifiers
- CAS
17610-02-5- PubChem CID
- 137948383
- DTXSID
DTXSID201236771
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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