2-Methyl-2-(4-methylphenyl)cyclopentan-1-one
Basic information
- CAS
4608-41-7- Standard SMILES
Cc1ccc(C2(C)CCCC2=O)cc1- InChIKey
TURRILVXKAXEMO-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 2-Methyl-2-(4-methylphenyl)cyclopentan-1-one
- IUPAC
- 2-methyl-2-(4-methylphenyl)cyclopentan-1-one
Names & synonyms
2-Methyl-2-(4-methylphenyl)cyclopentan-1-one4608-41-7DTXSID00506052
Database identifiers
- CAS
4608-41-7- PubChem CID
- 12662011
- DTXSID
DTXSID00506052
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
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Compound notes
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