Basic information
- CAS
25090-79-3- Standard SMILES
Cc1ccc(C2(C)CC(=O)CC2(C)C)cc1- InChIKey
MTWLTRIBMFLOIL-UHFFFAOYSA-N- Molecular formula
- C15H20O
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.15141526
Names & identifiers
- Preferred name
- Cyclopentanone, 3,3,4-trimethyl-4-(4-methylphenyl)-
- IUPAC
- 3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-one
- English name
- 3,3,4-Trimethyl-4-p-tolylcyclopentanone
- Molecular formula
- C15H20O
- Molecular weight
- 216.32
Names & synonyms
25090-79-3Cyclopentanone, 3,3,4-trimethyl-4-(4-methylphenyl)-DTXSID50342624RefChem:336055DTXCID102937043,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-oneSCHEMBL2946642MTWLTRIBMFLOIL-UHFFFAOYSA-N3,3,4-trimethyl-4-(p-tolyl)-cyclopentan-1-one3,3,4-Trimethyl-4-(4-methylphenyl)cyclopentanone #3,3,4-Trimethyl-4-p-tolylcyclopentanone
Database identifiers
- CAS
25090-79-3- PubChem CID
- 583402
- DTXSID
DTXSID50342624- Nikkaji
- J2.303.007A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 310 · 310.0±31.0 °C(Predicted)
- Density
- 0.972 · 0.972±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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