5,5-Dimethyl-1-phenyl-1-hexanone
Basic information
- CAS
39755-26-5- Standard SMILES
CC(C)(C)CCCC(=O)c1ccccc1- InChIKey
HIHFAFPMKFIEKO-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 5,5-Dimethyl-1-phenyl-1-hexanone
- IUPAC
- 5,5-dimethyl-1-phenylhexan-1-one
Names & synonyms
5,5-Dimethyl-1-phenyl-1-hexanoneSCHEMBL2739389DTXSID6013016295,5-dimethyl-1-phenylhexan-1-oneAKOS01074239739755-26-5
Database identifiers
- CAS
39755-26-5- PubChem CID
- 57366189
- DTXSID
DTXSID601301629
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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