4,4-Dimethyl-1-phenylpentan-2-one
Basic information
- CAS
6303-84-0- Standard SMILES
CC(C)(C)CC(=O)Cc1ccccc1- InChIKey
GUGWJSWTOXBXTO-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 4,4-Dimethyl-1-phenylpentan-2-one
- IUPAC
- 4,4-dimethyl-1-phenylpentan-2-one
Names & synonyms
4,4-dimethyl-1-phenylpentan-2-one6303-84-0NSC42892SCHEMBL10906216DTXSID20285817NSC-428924,4-dimethyl-1-phenyl-pentan-2-oneDS-014620
Database identifiers
- CAS
6303-84-0- PubChem CID
- 238515
- DTXSID
DTXSID20285817
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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