Basic information
- CAS
55683-21-1- Standard SMILES
CC1=CC(=O)C(C)C1C- InChIKey
LPBXNOSWWUFYQN-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Overview
3,4,5-trimethyl-2-Cyclopenten-1-one is a cyclic ketone.
Names & identifiers
- Preferred name
- 3,4,5-Trimethyl-2-cyclopenten-1-one
- IUPAC
- 3,4,5-trimethylcyclopent-2-en-1-one
- English name
- 3,4,5-Trimethyl-2-cyclopenten-1-one
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
3,4,5-TRIMETHYL-2-CYCLOPENTEN-1-ONE55683-21-1RefChem:10656893,4,5-trimethylcyclopent-2-en-1-one3,4,5-Trimethylcyclopent-2-enone2-Cyclopenten-1-one, 3,4,5-trimethyl-SCHEMBL6895210DTXSID20971041CHEBI:229311LPBXNOSWWUFYQN-UHFFFAOYSA-N3,4,5-Trimethyl-2-cyclopenten-1-one #
Database identifiers
- CAS
55683-21-1- PubChem CID
- 41520
- DTXSID
DTXSID20971041- ChEBI
CHEBI:229311- Nikkaji
- J376.242D
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 167
Physicochemical properties
- Boiling point
- 85 · 85-95 °C(Press: 12 Torr)
- Density
- 0.939 g/cm3 · 0.939 g/cm3(Temp: 21 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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