3-Propylcyclohex-2-en-1-one
Basic information
- CAS
6328-24-1- Standard SMILES
CCCC1=CC(=O)CCC1- InChIKey
PTKLGNSTURMLTG-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 3-Propylcyclohex-2-en-1-one
- IUPAC
- 3-propylcyclohex-2-en-1-one
- English name
- 3-propylcyclohex-2-en-1-one
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
3-propylcyclohex-2-en-1-one6328-24-13-propyl-2-cyclohexen-1-one3-Propyl-2-cyclohexenoneNSC 43651NSC43651SCHEMBL3936524DTXSID80286062NSC-43651AKOS014505322DB-1057143-propylcyclohex-2-enone
Show more names
2-Cyclohexen-1-one, 3-propyl-
Database identifiers
- CAS
6328-24-1- PubChem CID
- 238972
- DTXSID
DTXSID80286062- Nikkaji
- J1.092.329H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Chemistry & industry
Applications
Uses3-Propyl-2-cyclohexenone is used as a reagent in the iron-catalyzed enantioselective epoxidation of cyclic aliphatic enones with aqueous H2O2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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