4-Hexen-3-one, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
Basic information
- CAS
65113-96-4- Standard SMILES
CCC(=O)/C=C/CC1CC=C(C)C1(C)C- InChIKey
TWUIRVFTSHQTGA-SOFGYWHQSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 4-Hexen-3-one, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
- IUPAC
- (E)-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-3-one
Names & synonyms
EINECS 265-452-565113-96-46-(2,2,3-Trimethylcyclopent-3-en-1-yl)hex-4-en-3-one4-Hexen-3-one, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-DTXSID60885931RefChem:523597DTXCID401025287265-452-5SCHEMBL4458950AKOS004909880
Database identifiers
- CAS
65113-96-4- PubChem CID
- 5706293
- EC Number
- 265-452-5
- Nikkaji
- J286.686B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 294
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (897 of 897) of all reports.
Not Classified
Aggregated GHS information provided per 897 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Hexen-3-one, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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