Basic information
- CAS
898769-52-3- Standard SMILES
Cc1ccc(CCC(=O)C2CCC2)cc1- InChIKey
JWTWXSWBPIFSQI-UHFFFAOYSA-N- Molecular formula
- C14H18O
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.13576519
Names & identifiers
- Preferred name
- Cyclobutyl 2-(4-methylphenyl)ethyl ketone
- IUPAC
- 1-cyclobutyl-3-(4-methylphenyl)propan-1-one
- English name
- Cyclobutyl 2-(4-methylphenyl)ethyl ketone
- Molecular formula
- C14H18O
- Molecular weight
- 202.29
Names & synonyms
CYCLOBUTYL 2-(4-METHYLPHENYL)ETHYL KETONE898769-52-31-cyclobutyl-3-(4-methylphenyl)propan-1-oneMFCD03843041DTXSID50644155AKOS0160215091-cyclobutyl-3-(p-tolyl)propan-1-oneCYCLOBUTYL2-(4-METHYLPHENYL)ETHYLKETONEF2057731-Propanone, 1-cyclobutyl-3-(4-methylphenyl)-
Database identifiers
- CAS
898769-52-3- PubChem CID
- 24725762
- DTXSID
DTXSID50644155
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 310.2 · 310.2±11.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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