Basic information
- CAS
24156-95-4- Standard SMILES
CC1=CC(=O)C(C)(C)C1- InChIKey
AVXVDNJFGZNVAB-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Overview
3,5,5-Trimethyl-2-cyclopenten-1-one is a cyclic ketone.
Names & identifiers
- Preferred name
- 3,5,5-Trimethyl-2-cyclopenten-1-one
- IUPAC
- 3,5,5-trimethylcyclopent-2-en-1-one
- English name
- 3,5,5-Trimethyl-2-cyclopenten-1-one
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
3,5,5-TRIMETHYL-2-CYCLOPENTEN-1-ONE3,5,5-trimethylcyclopent-2-en-1-one24156-95-42-Cyclopenten-1-one, 3,5,5-trimethyl-3,5,5-Trimethyl-2-cyclopentenone3,5,5-Trimethyl-cyclopent-2-en-1-oneDTXSID40178858RefChem:91304DTXCID00101349AVXVDNJFGZNVAB-UHFFFAOYSA-NSCHEMBL1867990CHEBI:195669
Show more names
3,5,5-trimethylcyclopenten-2-one
2-cyclopenten-1-one, 3,5,5-trimethyl
Database identifiers
- CAS
24156-95-4- PubChem CID
- 32240
- DTXSID
DTXSID40178858- ChEBI
CHEBI:195669- Nikkaji
- J376.243B
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
- 175
Physicochemical properties
- Boiling point
- 76.5 · 76.5-77.0 °C(Press: 20 Torr)
- Density
- 0.906 g/cm3 · 0.906 g/cm3(Temp: 30 °C)
- LogP
- 1.217 · 1.217 (est)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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