2,3,4-Trimethyl-2-cyclopenten-1-one
Basic information
- CAS
28790-86-5- Standard SMILES
CC1=C(C)C(C)CC1=O- InChIKey
QJQNTXCURBPBOK-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 2,3,4-Trimethyl-2-cyclopenten-1-one
- IUPAC
- 2,3,4-trimethylcyclopent-2-en-1-one
- English name
- 2,3,4-trimethylcyclopent-2-en-1-one
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
28790-86-52-Cyclopenten-1-one, 2,3,4-trimethyl-2,3,4-Trimethyl-2-cyclopenten-1-oneDTXSID4021686RefChem:1059211DTXCID1016862,3,4-Trimethylcyclopent-2-en-1-oneCyclopentenone, trimethyl-2,3,4-TRIMETHYL-2-CYCLOPENTENONE2,3,4-trimethylcyclopent-2-enone86368-24-3trimethylcyclopentenone
Show more names
SCHEMBL25110842,3,4-trimethyl-cyclopent-2-en-1-oneDB-260270Cyclopent-2-ene-1-one, 2,3,4-trimethyl-NS00124689
Database identifiers
- CAS
28790-86-5、86368-24-3- PubChem CID
- 34335
- DTXSID
DTXSID4021686- Nikkaji
- J370.826H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 79 · 79-80 °C(Press: 12 Torr)
- Density
- 0.9414 g/cm3 · 0.9414 g/cm3
Chemistry & industry
Applications
Uses2,3,4-Trimethyl-2-cyclopentenone, is an intermediate that can be used in various chemical synthesis. It is used for the synthesis of cyclic saturated compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
1 records
Compound notes
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